Representations & DB's id
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| ChEBI: |
None
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| ChEMBL: |
CHEMBL117118
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| PubChem: |
10078678
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IUPAC:
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[(2R,4R,4bS,5R,6S,7S,10R,10aR)-6,7,10-triacetyloxy-5-benzoyloxy-2-formyl-10a-hydroxy-4b-(hydroxymethyl)-2,8,8-trimethyl-1-oxo-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-4-yl] benzoate
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Standard InChI:
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InChI=1S/C39H44O14/c1-21(42)49-28-17-27-36(4,5)31(51-23(3)44)29(50-22(2)43)32(53-34(46)25-15-11-8-12-16-25)38(27,20-41)30-26(52-33(45)24-13-9-7-10-14-24)18-37(6,19-40)35(47)39(28,30)48/h7-16,19,26-32,41,48H,17-18,20H2,1-6H3/t26-,27?,28-,29+,30?,31-,32+,37-,38+,39+/m1/s1
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Standard InChI Key:
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GZGMTWJDIWUSBB-XBDKZVGKSA-N
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SMILES:
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OC[C@@]12[C@@H](OC(=O)c3ccccc3)[C@@H](OC(=O)C)[C@H](C(C2C[C@H]([C@@]2(C1[C@@H](C[C@](C2=O)(C)C=O)OC(=O)c1ccccc1)O)OC(=O)C)(C)C)OC(=O)C |
