methyl (4R)-4-[(3R,5R,6R,7S,8S,9S,10R,13R,14S,17R)-6-methoxy-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

Systemtic Name: methyl (4R)-4-[(3R,5R,6R,7S,8S,9S,10R,13R,14S,17R)-6-methoxy-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate Openeye Name: methyl (4R)-4-[(3R,5R,6R,7S,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-6-methoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate CAS Name: (4R)-4-[(3R,5R,6R,7S,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-6-methoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester IUPAC Name: methyl (4R)-4-[(3R,5R,6R,7S,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-6-methoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate Traditional Name: (4R)-4-[(3R,5R,6R,7S,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-6-methoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid methyl ester Formula: C26H44O5 MolecularWeight: 436.62456

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)OC)C1CCC2C1(CCC3C2C(C(C4C3(CCC(C4)O)C)OC)O)C

Isomeric SMILES

C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H]([C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)OC)O)C

InChI

InChI=1S/C26H44O5/c1-15(6-9-21(28)30-4)17-7-8-18-22-19(11-13-25(17,18)2)26(3)12-10-16(27)14-20(26)24(31-5)23(22)29/h15-20,22-24,27,29H,6-14H2,1-5H3/t15-,16-,17-,18+,19+,20+,22+,23+,24-,25-,26-/m1/s1