Phenanthrenes and derivatives

Description:

Polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.

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  1. Cryptopleurine
    CAS: 482-22-4 PubChem CID: 92765
    Out of Stock Item #: C1047776
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    IUPAC Name
    (14aR)-2,3,6-trimethoxy-11,12,13,14,14a,15-hexahydro-9H-phenanthro[9,10-b]quinolizine
    SMILES
    COC1=CC2=C(C=C1)C3=C(CC4CCCCN4C3)C5=CC(=C(C=C52)OC)OC
    InChIKey
    RSHYSOGXGSUUIJ-OAHLLOKOSA-N
    InChI
    1S/C24H27NO3/c1-26-16-7-8-17-19(11-16)21-13-24(28-3)23(27-2)12-20(21)18-10-15-6-4-5-9-25(15)14-22(17)18/h7-8,11-13,15H,4-6,9-10,14H2,1-3H3/t15-/m1/s1
  2. Dihydrocelastrol
    CAS: 193957-88-9 Formula: C29H40O4 Molecular Weight: 452.6
    Out of Stock Item #: D1266070
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    IUPAC Name
    (2R,4aS,6aS,6aS,14aS,14bR)-10,11-dihydroxy-2,4a,6a,6a,9,14a-hexamethyl-3,4,5,6,8,13,14,14b-octahydro-1H-picene-2-carboxylic acid
    SMILES
    CC1=C2CC=C3[C@](C2=CC(=C1O)O)(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4C[C@](CC5)(C)C(=O)O)C)C)C)C
    InChIKey
    WZAUFGYINZYCKH-JJWQIEBTSA-N
    InChI
    1S/C29H40O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h8,15,22,30-31H,7,9-14,16H2,1-6Hshow more
  3. 9-Cyclopropylphenanthrene-3-carboxylic acid
    CAS: 1333111-40-2 PubChem CID: 56653422
    Out of Stock Item #: C1239189
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    IUPAC Name
    9-cyclopropylphenanthrene-3-carboxylic acid
    SMILES
    C1CC1C2=CC3=C(C=C(C=C3)C(=O)O)C4=CC=CC=C42
    InChIKey
    OUWRRDKZWBVAHB-UHFFFAOYSA-N
    InChI
    1S/C18H14O2/c19-18(20)13-8-7-12-9-16(11-5-6-11)14-3-1-2-4-15(14)17(12)10-13/h1-4,7-11H,5-6H2,(H,19,20)
  4. 6beta-Naltrexol
    CAS: 49625-89-0 EC Number: 803-959-0 Formula: C20H25NO4 Molecular Weight: 343.4
    Out of Stock Item #: B1358469
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    Technical Identifiers
    IUPAC Name
    (4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol
    SMILES
    C1C[C@]2([C@H]3CC4=C5[C@@]2(CCN3CC6CC6)[C@H]([C@@H]1O)OC5=C(C=C4)O)O
    InChIKey
    JLVNEHKORQFVQJ-PYIJOLGTSA-N
    InChI
    1S/C20H25NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,14-15,18,22-24H,1-2,5-10H2/t14-,15-,18+,19+,show more
  5. Naloxegol Oxalate
    CAS: 1354744-91-4 PubChem CID: 56959086 Formula: C36H55NO15 Molecular Weight: 741.8
    Out of Stock Item #: N1335679
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    Technical Identifiers
    IUPAC Name
    (4R,4aS,7S,7aR,12bS)-7-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enyl-1,2,4,5,6,7,7a,13-octahydro-4,12-meshow more
    SMILES
    COCCOCCOCCOCCOCCOCCOCCOC1CCC2(C3CC4=C5C2(C1OC5=C(C=C4)O)CCN3CC=C)O.C(=O)(C(=O)O)O
    InChIKey
    MNYIRXLCPODKLG-VUTNLTPYSA-N
    InChI
    1S/C34H53NO11.C2H2O4/c1-3-9-35-10-8-33-30-26-4-5-27(36)31(30)46-32(33)28(6-7-34(33,37)29(35)25-26)45-24-23-44-22-21-43-20-19-42-18-17-41-16-15-40-14-1show more
  6. Batatasin I
    CAS: 51415-00-0 PubChem CID: 442694 Formula: C17H16O4 Molecular Weight: 284.31
    Solid ≥99%
    Out of Stock Item #: B1059474
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    IUPAC Name
    2,5,7-trimethoxyphenanthren-3-ol
    SMILES
    COC1=CC(=C2C(=C1)C=CC3=CC(=C(C=C32)O)OC)OC
    InChIKey
    KGYHMWVRKYFQQR-UHFFFAOYSA-N
    InChI
    1S/C17H16O4/c1-19-12-6-11-5-4-10-7-15(20-2)14(18)9-13(10)17(11)16(8-12)21-3/h4-9,18H,1-3H3
    Synonyms
    2,5,7-Trimethoxy-3-Phenanthrenol
  7. Bavachin
    CAS: 19879-32-4 EC Number: 683-181-4 Formula: C20H20O4 Molecular Weight: 324.37
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    In Stock Item #: C898525
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    IUPAC Name
    (2S)-7-hydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
    SMILES
    CC(=CCC1=CC2=C(C=C1O)OC(CC2=O)C3=CC=C(C=C3)O)C
    InChIKey
    OAUREGNZECGNQS-IBGZPJMESA-N
    InChI
    1S/C20H20O4/c1-12(2)3-4-14-9-16-18(23)11-19(24-20(16)10-17(14)22)13-5-7-15(21)8-6-13/h3,5-10,19,21-22H,4,11H2,1-2H3/t19-/m0/s1
    Synonyms
    AC-34020 | A879959 | MFCD11617359 | Bavachin | 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-6-(3-...
  8. Triphenylen-2-ol
    CAS: 39748-90-8 Formula: C18H12O Molecular Weight: 244.29
    Out of Stock Item #: T769281
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    Technical Identifiers
    SMILES
    C1=CC=C2C(=C1)C3=C(C=C(C=C3)O)C4=CC=CC=C24
    InChIKey
    ISSUAOIVROKZGI-UHFFFAOYSA-N
    InChI
    1S/C18H12O/c19-12-9-10-17-15-7-2-1-5-13(15)14-6-3-4-8-16(14)18(17)11-12/h1-11,19H
  9. [5]Helicene
    CAS: 188-52-3 Formula: C22H14 Molecular Weight: 278.35
    Out of Stock Item #: H770496
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    Technical Identifiers
    SMILES
    C1=CC=C2C(=C1)C=CC3=C2C4=C(C=C3)C=CC5=CC=CC=C54
    InChIKey
    JKPCLJPYZMKPHM-UHFFFAOYSA-N
    InChI
    1S/C22H14/c1-3-7-19-15(5-1)9-11-17-13-14-18-12-10-16-6-2-4-8-20(16)22(18)21(17)19/h1-14H
  10. Perylene-3-boronic acid(contains varying amounts of Anhydride)
    CAS: 955121-20-7 Formula: C20H13BO2 Molecular Weight: 296.13
    Solid ≥98%
    Out of Stock Item #: P768431
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    Technical Identifiers
    IUPAC Name
    perylen-3-ylboronic acid
    SMILES
    B(C1=C2C=CC=C3C2=C(C=C1)C4=CC=CC5=C4C3=CC=C5)(O)O
    InChIKey
    CHFSSIZYLDGLQR-UHFFFAOYSA-N
    InChI
    1S/C20H13BO2/c22-21(23)18-11-10-16-14-7-2-5-12-4-1-6-13(19(12)14)15-8-3-9-17(18)20(15)16/h1-11,22-23H
  11. Methylnaltrexone bromide
    CAS: 73232-52-7 EC Number: 615-932-9 PubChem CID: 5361917 Formula: C21H26NO4 · Br Molecular Weight: 436.34
    Solid ≥98%
    Out of Stock Item #: M769866
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    Technical Identifiers
    IUPAC Name
    (4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-one;bromide
    SMILES
    C[N+]1(CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O)CC6CC6.[Br-]
    InChIKey
    IFGIYSGOEZJNBE-KNLJMPJLSA-N
    InChI
    1S/C21H25NO4.BrH/c1-22(11-12-2-3-12)9-8-20-17-13-4-5-14(23)18(17)26-19(20)15(24)6-7-21(20,25)16(22)10-13;/h4-5,12,16,19,25H,2-3,6-11H2,1H3;1H/t16-,19+show more
    Synonyms
    (5alpha)-17-(Cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxy-17-methyl-6-oxomorphinanium bromide | Naltrexone methylbromi...
  12. Methyl phenanthrene-3-carboxylate
    CAS: 5345-98-2 Formula: C16H12O2 Molecular Weight: 236.27
    Solid ≥97%
    Out of Stock Item #: M769655
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    Technical Identifiers
    SMILES
    COC(=O)C1=CC2=C(C=CC3=CC=CC=C32)C=C1
    InChIKey
    PFARRVCKSKRETF-UHFFFAOYSA-N
    InChI
    1S/C16H12O2/c1-18-16(17)13-9-8-12-7-6-11-4-2-3-5-14(11)15(12)10-13/h2-10H,1H3
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