Iridoids and derivatives

Description:

Monoterpenes containing a skeleton structurally characterized by the presence of a cylopentane fused to a pyran ( forming a 4,7-dimethylcyclopenta[c]pyran), or a derivative where the pentane moiety is open.

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  1. Oleuropein aglycone
    CAS: 31773-95-2 PubChem CID: 56842347 Formula: C19H22O8 Molecular Weight: 378.37
    Out of Stock Item #: O963694
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    IUPAC Name
    methyl (4S,5E,6R)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-ethylidene-6-hydroxy-4H-pyran-3-carboxylate
    SMILES
    CC=C1C(C(=COC1O)C(=O)OC)CC(=O)OCCC2=CC(=C(C=C2)O)O
    InChIKey
    BIWKXNFEOZXNLX-BBHIFXBUSA-N
    InChI
    1S/C19H22O8/c1-3-12-13(14(18(23)25-2)10-27-19(12)24)9-17(22)26-7-6-11-4-5-15(20)16(21)8-11/h3-5,8,10,13,19-21,24H,6-7,9H2,1-2H3/b12-3+/t13-,19+/m0/s1
  2. GIV3727
    CAS: 957136-80-0 Formula: C12H22O2 Molecular Weight: 198.30
    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 #: B769812
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    Technical Identifiers
    SMILES
    CC1CCC(C1(C)C)CCCC(=O)O
    InChIKey
    LYFXCRCUENNESS-UHFFFAOYSA-N
    InChI
    1S/C12H22O2/c1-9-7-8-10(12(9,2)3)5-4-6-11(13)14/h9-10H,4-8H2,1-3H3,(H,13,14)
    Synonyms
    4-(2,2,3-Trimethylcyclopentyl)butanoic Acid
  3. Dexamethasone 9,11-epoxide
    CAS: 24916-90-3 EC Number: 246-529-2 PubChem CID: 11143226 Formula: C22H28O5 Molecular Weight: 372.45
    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%
    Out of Stock Item #: B725628
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    IUPAC Name
    (1S,2S,10S,11S,13R,14R,15S,17S)-14-hydroxy-14-(2-hydroxyacetyl)-2,13,15-trimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one
    SMILES
    CC1CC2C3CCC4=CC(=O)C=CC4(C35C(O5)CC2(C1(C(=O)CO)O)C)C
    InChIKey
    GBDXNHBVYAMODG-QDBZYVRYSA-N
    InChI
    1S/C22H28O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)22(15)18(27-22)10-20(16,3)21(12,26)17(25)11-23/h6-7,9,12,15-16,18,23,26H,4-5,8,10-11H2,1-3H3/t12-show more
  4. Loganetin
    CAS: 29748-10-5 Formula: C11H16O5 Molecular Weight: 228.24
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    Out of Stock Item #: L664433
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    IUPAC Name
    methyl (1R,4aS,6S,7R,7aS)-1,6-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
    SMILES
    CC1C(CC2C1C(OC=C2C(=O)OC)O)O
    InChIKey
    XWOHZIIPBYAMJX-KHBMLBSESA-N
    InChI
    1S/C11H16O5/c1-5-8(12)3-6-7(10(13)15-2)4-16-11(14)9(5)6/h4-6,8-9,11-12,14H,3H2,1-2H3/t5-,6+,8-,9+,11+/m0/s1
    Synonyms
    Methyl (1R,4aS,6S,7R,7aS)-1,6-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
  5. Tricyclo[5.2.1.0²,⁶]decanedimethanol diacrylate
    CAS: 42594-17-2 EC Number: 255-901-3 PubChem CID: 3036974 Formula: C18H24O4 Molecular Weight: 304.38
    Liquid Isomer mixture containing stabilizer MEHQ
    Out of Stock Item #: T487088
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    IUPAC Name
    [8-(prop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate
    SMILES
    C=CC(=O)OCC1CCC2C1C3CC(C2C3)COC(=O)C=C
    InChIKey
    VEBCLRKUSAGCDF-UHFFFAOYSA-N
    InChI
    1S/C18H24O4/c1-3-16(19)21-9-11-5-6-14-15-8-12(18(11)14)7-13(15)10-22-17(20)4-2/h3-4,11-15,18H,1-2,5-10H2
    Synonyms
    Octahydro-1H-4,7-methanoindene-1,5-diyldimethanediyl bisprop-2-enoate | Tox21_301271 | A0HH0W4E4Q | tricyclodecanedim...
  6. SHIN 1
    CAS: 2146095-85-2 PubChem CID: 134335083 Formula: C24H24N4O2 Molecular Weight: 400.48
    In Stock Item #: S288641
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    IUPAC Name
    6-amino-4-[3-(hydroxymethyl)-5-phenylphenyl]-3-methyl-4-propan-2-yl-2H-pyrano[2,3-c]pyrazole-5-carbonitrile
    SMILES
    CC1=C2C(=NN1)OC(=C(C2(C3=CC(=CC(=C3)C4=CC=CC=C4)CO)C(C)C)C#N)N
    InChIKey
    VVVOFJZXKJKHTD-UHFFFAOYSA-N
    InChI
    1S/C24H24N4O2/c1-14(2)24(20(12-25)22(26)30-23-21(24)15(3)27-28-23)19-10-16(13-29)9-18(11-19)17-7-5-4-6-8-17/h4-11,14,29H,13,26H2,1-3H3,(H,27,28)
    Synonyms
    6-Amino-1,4-dihydro-4-[5-(hydroxymethyl)[1,1'-biphenyl]-3-yl]-3-methyl-4-(1-methylethyl)pyrano[2,3-c]pyrazole-5-carbo...
  7. Metconazole Solution in Methanol
    CAS: 125116-23-6 EC Number: 603-031-3 Formula: C17H22ClN3O Molecular Weight: 319.83
    1000μg/mL in Methanol, uncertainty 2%
    In Stock Item #: BWY397772
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    IUPAC Name
    5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol
    SMILES
    CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C
    InChIKey
    XWPZUHJBOLQNMN-UHFFFAOYSA-N
    InChI
    1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3
    Synonyms
    Metconazole|125116-23-6|5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol|DTXSID40...
  8. Metconazole Solution in Methanol
    CAS: 125116-23-6 EC Number: 603-031-3 Formula: C17H22ClN3O Molecular Weight: 319.83
    100μg/mL in Methanol, uncertainty 3%
    Out of Stock Item #: BWY397777
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    Technical Identifiers
    IUPAC Name
    5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol
    SMILES
    CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C
    InChIKey
    XWPZUHJBOLQNMN-UHFFFAOYSA-N
    InChI
    1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3
    Synonyms
    Metconazole|125116-23-6|5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol|DTXSID40...
  9. Metconazole Solution in Acetonitrile
    CAS: 125116-23-6 EC Number: 603-031-3 Formula: C17H22ClN3O Molecular Weight: 319.83
    1000μg/mL in Acetonitrile, uncertainty 2%
    In Stock Item #: BWY397793
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    Technical Identifiers
    IUPAC Name
    5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol
    SMILES
    CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C
    InChIKey
    XWPZUHJBOLQNMN-UHFFFAOYSA-N
    InChI
    1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3
    Synonyms
    NCGC00255246-01 | 5-(4-chlorobenzyl)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol | UNII-A2F791945Q | DT...
  10. Metconazole
    CAS: 125116-23-6 Formula: C17H22ClN3O Molecular Weight: 319.83
    Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.
    In Stock Item #: M115373
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    Technical Identifiers
    IUPAC Name
    5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol
    SMILES
    CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C
    InChIKey
    XWPZUHJBOLQNMN-UHFFFAOYSA-N
    InChI
    1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3
    Synonyms
    Metconazole|125116-23-6|5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol|DTXSID40...
  11. Genipin
    CAS: 6902-77-8 Formula: C11H14O5 Molecular Weight: 226.23
    10mM in DMSO
    Out of Stock Item #: G425537
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    Technical Identifiers
    IUPAC Name
    methyl (1R,4aS,7aS)-1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
    SMILES
    COC(=O)C1=COC(C2C1CC=C2CO)O
    InChIKey
    AZKVWQKMDGGDSV-BCMRRPTOSA-N
    InChI
    1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3/t7-,9-,11-/m1/s1
    Synonyms
    (1R,4aS,7aS)-1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester | meth...
  12. Metconazole Solution in Acetonitrile
    CAS: 125116-23-6 EC Number: 603-031-3 Formula: C17H22ClN3O Molecular Weight: 319.83
    100μg/mL in Acetonitrile, uncertainty 3%
    In Stock Item #: BWY397797
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    Technical Identifiers
    IUPAC Name
    5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol
    SMILES
    CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C
    InChIKey
    XWPZUHJBOLQNMN-UHFFFAOYSA-N
    InChI
    1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3
    Synonyms
    Metconazole|125116-23-6|5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol|DTXSID40...
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