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

Systemtic Name: [(8R,9S,13S,14S,16R,17R)-13-methyl-3,17-di(propanoyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl] propanoate Openeye Name: [(8R,9S,13S,14S,16R,17R)-13-methyl-3,17-di(propanoyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl] propanoate CAS Name: propanoic acid [(8R,9S,13S,14S,16R,17R)-13-methyl-3,17-bis(1-oxopropoxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl] ester IUPAC Name: [(8R,9S,13S,14S,16R,17R)-13-methyl-3,17-di(propanoyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl] propanoate Traditional Name: propionic acid [(8R,9S,13S,14S,16R,17R)-13-methyl-3,17-dipropionyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl] ester Formula: C27H36O6 MolecularWeight: 456.57114

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1CC2C3CCC4=C(C3CCC2(C1OC(=O)CC)C)C=CC(=C4)OC(=O)CC

Isomeric SMILES

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

InChI

InChI=1S/C27H36O6/c1-5-23(28)31-17-9-11-18-16(14-17)8-10-20-19(18)12-13-27(4)21(20)15-22(32-24(29)6-2)26(27)33-25(30)7-3/h9,11,14,19-22,26H,5-8,10,12-13,15H2,1-4H3/t19-,20-,21+,22-,26+,27+/m1/s1