(2R)-2-[(1S)-1-[(3R,8R,9S,10R,13S,14R,17R)-10,13-dimethyl-3,14,17-tris(oxidanyl)-1-oxidanylidene-2,3,4,7,8,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-1-oxidanyl-ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one

Systemtic Name: (2R)-2-[(1S)-1-[(3R,8R,9S,10R,13S,14R,17R)-10,13-dimethyl-3,14,17-tris(oxidanyl)-1-oxidanylidene-2,3,4,7,8,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-1-oxidanyl-ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one Openeye Name: (2R)-2-[(1S)-1-hydroxy-1-[(3R,8R,9S,10R,13S,14R,17R)-3,14,17-trihydroxy-10,13-dimethyl-1-oxo-2,3,4,7,8,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one CAS Name: (2R)-2-[(1S)-1-hydroxy-1-[(3R,8R,9S,10R,13S,14R,17R)-3,14,17-trihydroxy-10,13-dimethyl-1-oxo-2,3,4,7,8,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one IUPAC Name: (2R)-2-[(1S)-1-hydroxy-1-[(3R,8R,9S,10R,13S,14R,17R)-3,14,17-trihydroxy-10,13-dimethyl-1-oxo-2,3,4,7,8,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one Traditional Name: (2R)-2-[(1S)-1-hydroxy-1-[(3R,8R,9S,10R,13S,14R,17R)-3,14,17-trihydroxy-1-keto-10,13-dimethyl-2,3,4,7,8,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one Formula: C28H40O7 MolecularWeight: 488.613

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC(C1)C(C)(C2(CCC3(C2(CCC4C3CC=C5C4(C(=O)CC(C5)O)C)C)O)O)O)C

Isomeric SMILES

CC1=C(C(=O)O[C@H](C1)[C@@](C)([C@]2(CC[C@@]3([C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(C(=O)C[C@@H](C5)O)C)C)O)O)O)C

InChI

InChI=1S/C28H40O7/c1-15-12-22(35-23(31)16(15)2)26(5,32)28(34)11-10-27(33)20-7-6-17-13-18(29)14-21(30)25(17,4)19(20)8-9-24(27,28)3/h6,18-20,22,29,32-34H,7-14H2,1-5H3/t18-,19+,20-,22-,24+,25+,26+,27-,28-/m1/s1