[(8R,9S,10R,13S,14S,16R,17R)-10,13-dimethyl-16-oxidanyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] propanoate

Systemtic Name: [(8R,9S,10R,13S,14S,16R,17R)-10,13-dimethyl-16-oxidanyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] propanoate Openeye Name: [(8R,9S,10R,13S,14S,16R,17R)-16-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] propanoate CAS Name: propanoic acid [(8R,9S,10R,13S,14S,16R,17R)-16-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(8R,9S,10R,13S,14S,16R,17R)-16-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] propanoate Traditional Name: propionic acid [(8R,9S,10R,13S,14S,16R,17R)-16-hydroxy-3-keto-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester Formula: C22H32O4 MolecularWeight: 360.48708

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1C(CC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)O

Isomeric SMILES

CCC(=O)O[C@H]1[C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O

InChI

InChI=1S/C22H32O4/c1-4-19(25)26-20-18(24)12-17-15-6-5-13-11-14(23)7-9-21(13,2)16(15)8-10-22(17,20)3/h11,15-18,20,24H,4-10,12H2,1-3H3/t15-,16+,17+,18-,20+,21+,22+/m1/s1