Representations & DB's id
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| ChEBI: |
None
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| ChEMBL: |
CHEMBL3314506
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| PubChem: |
14431223
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IUPAC:
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(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
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Standard InChI:
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InChI=1S/C36H56O9/c1-31(2)23-8-11-36(7)28(34(23,5)10-9-24(31)45-29-27(41)26(40)25(39)22(18-37)44-29)21(38)16-19-20-17-33(4,30(42)43)13-12-32(20,3)14-15-35(19,36)6/h16,20,22-29,37,39-41H,8-15,17-18H2,1-7H3,(H,42,43)/t20-,22+,23-,24-,25+,26-,27+,28+,29-,32+,33-,34-,35+,36+/m0/s1
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Standard InChI Key:
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UREFTEYUCRFTIM-CLCIBRLLSA-N
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SMILES:
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OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3C(=O)C=C3[C@@]2(C)CC[C@@]2([C@H]3C[C@](C)(CC2)C(=O)O)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O |
