[(8R,9S,13S,14S,16R,17R)-13-methyl-17-oxidanyl-3-phenylmethoxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]methyl ethanoate

Systemtic Name: [(8R,9S,13S,14S,16R,17R)-13-methyl-17-oxidanyl-3-phenylmethoxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]methyl ethanoate Openeye Name: [(8R,9S,13S,14S,16R,17R)-3-benzyloxy-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]methyl acetate CAS Name: acetic acid [(8R,9S,13S,14S,16R,17R)-17-hydroxy-13-methyl-3-phenylmethoxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]methyl ester IUPAC Name: [(8R,9S,13S,14S,16R,17R)-17-hydroxy-13-methyl-3-phenylmethoxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]methyl acetate Traditional Name: acetic acid [(8R,9S,13S,14S,16R,17R)-3-benzoxy-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]methyl ester Formula: C28H34O4 MolecularWeight: 434.56716

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1CC2C3CCC4=C(C3CCC2(C1O)C)C=CC(=C4)OCC5=CC=CC=C5

Isomeric SMILES

CC(=O)OC[C@H]1C[C@H]2[C@@H]3CCC4=C([C@H]3CC[C@@]2([C@@H]1O)C)C=CC(=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C28H34O4/c1-18(29)31-17-21-15-26-25-10-8-20-14-22(32-16-19-6-4-3-5-7-19)9-11-23(20)24(25)12-13-28(26,2)27(21)30/h3-7,9,11,14,21,24-27,30H,8,10,12-13,15-17H2,1-2H3/t21-,24-,25-,26+,27-,28+/m1/s1