[(1S,2S,4aR,4bS,8aS,10aR)-4b,8,8,10a-tetramethyl-2-oxidanyl-1-[(E)-2-(2-oxidanyl-5-oxidanylidene-2H-furan-3-yl)ethenyl]-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-2-yl]methyl ethanoate

Systemtic Name: [(1S,2S,4aR,4bS,8aS,10aR)-4b,8,8,10a-tetramethyl-2-oxidanyl-1-[(E)-2-(2-oxidanyl-5-oxidanylidene-2H-furan-3-yl)ethenyl]-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-2-yl]methyl ethanoate Openeye Name: [(1S,2S,4aR,4bS,8aS,10aR)-2-hydroxy-1-[(E)-2-(2-hydroxy-5-oxo-2H-furan-3-yl)vinyl]-4b,8,8,10a-tetramethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-2-yl]methyl acetate CAS Name: acetic acid [(1S,2S,4aR,4bS,8aS,10aR)-2-hydroxy-1-[(E)-2-(2-hydroxy-5-oxo-2H-furan-3-yl)ethenyl]-4b,8,8,10a-tetramethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-2-yl]methyl ester IUPAC Name: [(1S,2S,4aR,4bS,8aS,10aR)-2-hydroxy-1-[(E)-2-(2-hydroxy-5-oxo-2H-furan-3-yl)ethenyl]-4b,8,8,10a-tetramethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-2-yl]methyl acetate Traditional Name: acetic acid [(1S,2S,4aR,4bS,8aS,10aR)-2-hydroxy-1-[(E)-2-(2-hydroxy-5-keto-2H-furan-3-yl)vinyl]-4b,8,8,10a-tetramethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-2-yl]methyl ester Formula: C27H40O6 MolecularWeight: 460.6029

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1(CCC2C3(CCCC(C3CCC2(C1C=CC4=CC(=O)OC4O)C)(C)C)C)O

Isomeric SMILES

CC(=O)OC[C@@]1(CC[C@@H]2[C@]3(CCCC([C@@H]3CC[C@]2([C@@H]1/C=C/C4=CC(=O)OC4O)C)(C)C)C)O

InChI

InChI=1S/C27H40O6/c1-17(28)32-16-27(31)14-10-20-25(4)12-6-11-24(2,3)19(25)9-13-26(20,5)21(27)8-7-18-15-22(29)33-23(18)30/h7-8,15,19-21,23,30-31H,6,9-14,16H2,1-5H3/b8-7+/t19-,20+,21-,23?,25-,26+,27+/m0/s1