(1S,3R,7R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylidene-heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-1,3,7-triol

Systemtic Name: (1S,3R,7R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylidene-heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-1,3,7-triol Openeye Name: (1S,3R,7R,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethyl-4-methylene-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-1,3,7-triol CAS Name: (1S,3R,7R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methyleneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-1,3,7-triol IUPAC Name: (1S,3R,7R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-1,3,7-triol Traditional Name: (1S,3R,7R,8S,9S,10R,13R,14S,17R)-17-[(1R)-4-isopropyl-1-methyl-pent-4-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-1,3,7-triol Formula: C28H46O3 MolecularWeight: 430.66304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H46O3/c1-16(2)17(3)7-8-18(4)21-9-10-22-26-23(11-12-27(21,22)5)28(6)19(14-24(26)30)13-20(29)15-25(28)31/h14,16,18,20-26,29-31H,3,7-13,15H2,1-2,4-6H3/t18-,20-,21-,22+,23+,24+,25+,26+,27-,28+/m1/s1