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Aconitane-type diterpenoid alkaloids

Description:

Alkaloid diterpenoids with a structure based on the hexacyclic aconitane skeleton. These compounds have no oxygen functionality at the C7 atom.

Ancestors:

Organic compounds ⮕ Lipids and lipid-like molecules ⮕ Prenol lipids ⮕ Diterpenoids ⮕ Aconitane-type diterpenoid alkaloids

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  1. no_selection
    Indaconitine
    CAS: 4491-19-4 PubChem CID: 441740 Formula: C34H47NO10 Molecular Weight: 629.7
    ≥98%
    Out of Stock Item #: I664382
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    Technical Identifiers
    IUPAC Name
    [(1S,2R,3R,4R,5S,6S,8R,9R,13R,14R,16S,17S,18R)-8-acetyloxy-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01show more
    SMILES
    CCN1CC2(C(CC(C34C2C(C(C31)C5(CC(C6(CC4C5C6OC(=O)C7=CC=CC=C7)O)OC)OC(=O)C)OC)OC)O)COC
    InChIKey
    PHDZNMWTZQPAEW-ZIVNFORMSA-N
    InChI
    1S/C34H47NO10/c1-7-35-16-31(17-40-3)21(37)13-22(41-4)34-20-14-32(39)23(42-5)15-33(45-18(2)36,25(28(34)35)26(43-6)27(31)34)24(20)29(32)44-30(38)19-11-9show more
  2. no_selection
    Neoline
    CAS: 466-26-2 Formula: C24H39NO6 Molecular Weight: 437.57
    Solid ≥98%
    Out of Stock Item #: B664228
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    Technical Identifiers
    IUPAC Name
    11-ethyl-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol
    SMILES
    CCN1CC2(CCC(C34C2C(C(C31)C5(CC(C6CC4C5C6O)OC)O)OC)O)COC
    InChIKey
    XRARAKHBJHWUHW-UHFFFAOYSA-N
    InChI
    1S/C24H39NO6/c1-5-25-10-22(11-29-2)7-6-15(26)24-13-8-12-14(30-3)9-23(28,16(13)18(12)27)17(21(24)25)19(31-4)20(22)24/h12-21,26-28H,5-11H2,1-4H3
    Synonyms
    Bullatine B | 20-ethyl-6,16-dimethoxy-4-(methoxymethyl)-(1α,6α,14α,16β)-aconitane-1,8,14-triol
  3. Benzoylmesaconine
    Benzoylmesaconine
    CAS: 63238-67-5 PubChem CID: 24832659 Formula: C31H43NO10 Molecular Weight: 589.67
    ≥98%
    In Stock Item #: B664207
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    Technical Identifiers
    IUPAC Name
    [(1S,2R,3R,4R,5R,6S,7S,8R,9R,13R,14R,16S,17S,18R)-5,7,8,14-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,show more
    SMILES
    CN1CC2(C(CC(C34C2C(C(C31)C5(C6C4CC(C6OC(=O)C7=CC=CC=C7)(C(C5O)OC)O)O)OC)OC)O)COC
    InChIKey
    PULWZCUZNRVAHT-IJNXHYLPSA-N
    InChI
    1S/C31H43NO10/c1-32-13-28(14-38-2)17(33)11-18(39-3)30-16-12-29(36)25(42-27(35)15-9-7-6-8-10-15)19(16)31(37,24(34)26(29)41-5)20(23(30)32)21(40-4)22(28)show more
    Synonyms
    Mesaconine 14-benzoate
  4. 10-hydroxy mesaconitine - 96%, used for , CAS No. 76918-93-9, by Aladdin Scientific
    10-hydroxy mesaconitine
    CAS: 76918-93-9 Formula: C33H45NO12 Molecular Weight: 647.71
    Solid ≥96%
    In Stock Item #: H664039
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    Technical Identifiers
    IUPAC Name
    [(1R,2S,3S,4R,5R,6S,7S,8S,9R,13R,14R,16S,17R,18R)-8-acetyloxy-2,5,7,14-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.show more
    SMILES
    CC(=O)OC12C3C(C4C5(CN(C3C4(C(CC5O)OC)C6(C1C(C(C6)(C(C2O)OC)O)OC(=O)C7=CC=CC=C7)O)C)COC)OC
    InChIKey
    GPTAWZLFSGYZGC-JDMPSTDXSA-N
    InChI
    1S/C33H45NO12/c1-16(35)46-33-20-21(43-5)22-29(15-41-3)14-34(2)24(20)32(22,19(42-4)12-18(29)36)31(40)13-30(39,27(44-6)25(33)37)26(23(31)33)45-28(38)17-show more
    Synonyms
    Beiwutine
  6. no_selection
    Hypaconine
    CAS: 63238-68-6 PubChem CID: 76189740 Formula: C24H39NO8 Molecular Weight: 469.57
    ≥99%
    Out of Stock Item #: H648679
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    Pricing & Pack Sizes
    Technical Identifiers
    IUPAC Name
    6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,5,7,8-tetrol
    SMILES
    CN1CC2(CCC(C34C2C(C(C31)C5(C6C4CC(C6O)(C(C5O)OC)O)O)OC)OC)COC
    InChIKey
    BQTYHFZQSAKNQU-UHFFFAOYSA-N
    InChI
    1S/C24H39NO8/c1-25-9-21(10-30-2)7-6-12(31-3)23-11-8-22(28)18(26)13(11)24(29,19(27)20(22)33-5)14(17(23)25)15(32-4)16(21)23/h11-20,26-29H,6-10H2,1-5H3
  7. Karacoline
    Karacoline
    CAS: 39089-30-0 PubChem CID: 441742 Formula: C22H35NO4 Molecular Weight: 377.52
    ≥99%
    Out of Stock Item #: K647332
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    Pricing & Pack Sizes
    Technical Identifiers
    IUPAC Name
    (1S,2R,3R,4S,5S,6S,8S,9S,13R,16S,17R)-11-ethyl-6-methoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol
    SMILES
    CCN1CC2(CCC(C34C2CC(C31)C5(CC(C6CC4C5C6O)OC)O)O)C
    InChIKey
    HKQZUYOVMYOFIT-VHNBHZRZSA-N
    InChI
    1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15show more
    Synonyms
    20-ethyl-16beta-methoxy-4-methylaconitane-1alpha,8,14alpha-triol | Aconitane-1,8,14-triol, 20-ethyl-16-methoxy-4-meth...
  8. no_selection
    8-Deacetylyunaconitine
    CAS: 93460-55-0 PubChem CID: 14139448 Formula: C33H47NO10 Molecular Weight: 617.73
    Out of Stock Item #: D647314
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    Technical Identifiers
    IUPAC Name
    [11-ethyl-5,8,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate
    SMILES
    CCN1CC2(C(CC(C34C2C(C(C31)C5(CC(C6(CC4C5C6OC(=O)C7=CC=C(C=C7)OC)O)OC)O)OC)OC)O)COC
    InChIKey
    DHVYLCVNTWPXSI-UHFFFAOYSA-N
    InChI
    1S/C33H47NO10/c1-7-34-15-30(16-39-2)20(35)12-21(41-4)33-19-13-31(37)22(42-5)14-32(38,24(27(33)34)25(43-6)26(30)33)23(19)28(31)44-29(36)17-8-10-18(40-3show more
  9. [³H]methyllycaconitine - , used for , CAS No. H614175, by Aladdin Scientific
    [³H]methyllycaconitine
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
    Out of Stock Item #: H614175
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    Technical Identifiers
    IUPAC Name
    [(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]show more
    SMILES
    CCN1C[C@@]2(CC[C@@H]([C@]34[C@H]1[C@](O)([C@H]([C@H]23)OC)[C@@]1([C@@H]2[C@H]4C[C@@H]([C@@H]2OC)[C@H](C1)OC)O)OC)COC(=O)c1ccccc1N1C(=O)C[C@@H](C1=O)C
    InChIKey
    XLTANAWLDBYGFU-VTLKBQQISA-N
    InChI
    1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(4show more
  10. Hypaconitine
    Hypaconitine
    CAS: 6900-87-4 Formula: C33H45NO10 Molecular Weight: 615.71
    ≥97%
    In Stock Item #: H464954
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    Pricing & Pack Sizes
    Technical Identifiers
    IUPAC Name
    [(1S,2R,3R,4R,5R,6S,7S,8R,9R,13S,16S,17R,18R)-8-acetyloxy-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,show more
    SMILES
    CC(=O)OC12C3C(CC(C3OC(=O)C4=CC=CC=C4)(C(C1O)OC)O)C56C(CCC7(C5C(C2C6N(C7)C)OC)COC)OC
    InChIKey
    FIDOCHXHMJHKRW-VHQVDBNASA-N
    InChI
    1S/C33H45NO10/c1-17(35)44-33-21-19(14-31(38,28(42-6)26(33)36)27(21)43-29(37)18-10-8-7-9-11-18)32-20(40-4)12-13-30(16-39-3)15-34(2)25(32)22(33)23(41-5)show more
    Synonyms
    Deoxymesaconitine | DTXSID50988763 | 8-(Acetyloxy)-13,15-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)-20-methylaconi...
  11. Mesaconitine
    Mesaconitine
    CAS: 2752-64-9 Formula: C33H45NO11 Molecular Weight: 631.71
    Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. ≥96%
    In Stock Item #: M115190
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    Pricing & Pack Sizes
    Technical Identifiers
    IUPAC Name
    [(1S,2R,3R,4R,5R,6S,7S,8R,9R,13R,14R,16S,17S,18R)-8-acetyloxy-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.show more
    SMILES
    CC(=O)OC12C3C(CC(C3OC(=O)C4=CC=CC=C4)(C(C1O)OC)O)C56C(CC(C7(C5C(C2C6N(C7)C)OC)COC)O)OC
    InChIKey
    XUHJBXVYNBQQBD-TUWOXVOMSA-N
    InChI
    1S/C33H45NO11/c1-16(35)45-33-21-18(13-31(39,28(43-6)26(33)37)27(21)44-29(38)17-10-8-7-9-11-17)32-20(41-4)12-19(36)30(15-40-3)14-34(2)25(32)22(33)23(42show more
    Synonyms
    N-desethyl-N-methylaconitine | AKOS025311469 | C08698 | Japaconitine B | Mesaconitine | Q-100349 | Q27107326 | XUHJBX...
  12. Mesaconitine
    Mesaconitine
    CAS: 2752-64-9 Formula: C33H45NO11 Molecular Weight: 631.71
    ≥97%(HPLC)
    Out of Stock Item #: M464332
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    Pricing & Pack Sizes
    Technical Identifiers
    IUPAC Name
    [(1S,2R,3R,4R,5R,6S,7S,8R,9R,13R,14R,16S,17S,18R)-8-acetyloxy-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.show more
    SMILES
    CC(=O)OC12C3C(CC(C3OC(=O)C4=CC=CC=C4)(C(C1O)OC)O)C56C(CC(C7(C5C(C2C6N(C7)C)OC)COC)O)OC
    InChIKey
    XUHJBXVYNBQQBD-TUWOXVOMSA-N
    InChI
    1S/C33H45NO11/c1-16(35)45-33-21-18(13-31(39,28(43-6)26(33)37)27(21)44-29(38)17-10-8-7-9-11-17)32-20(41-4)12-19(36)30(15-40-3)14-34(2)25(32)22(33)23(42show more
    Synonyms
    N-desethyl-N-methylaconitine | AKOS025311469 | C08698 | Japaconitine B | Mesaconitine | Q-100349 | Q27107326 | XUHJBX...
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