(1R,3S,8R,9S,10S,13S,14S,17S)-10-(hydroxymethyl)-17-(1-methoxycyclohexyl)oxy-1,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Systemtic Name: (1R,3S,8R,9S,10S,13S,14S,17S)-10-(hydroxymethyl)-17-(1-methoxycyclohexyl)oxy-1,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol Openeye Name: (1R,3S,8R,9S,10S,13S,14S,17S)-10-(hydroxymethyl)-17-(1-methoxycyclohexoxy)-1,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol CAS Name: (1R,3S,8R,9S,10S,13S,14S,17S)-10-(hydroxymethyl)-17-(1-methoxycyclohexyl)oxy-1,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol IUPAC Name: (1R,3S,8R,9S,10S,13S,14S,17S)-10-(hydroxymethyl)-17-(1-methoxycyclohexyl)oxy-1,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol Traditional Name: (1R,3S,8R,9S,10S,13S,14S,17S)-17-(1-methoxycyclohexoxy)-1,13-dimethyl-10-methylol-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol Formula: C27H44O4 MolecularWeight: 432.63586

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC2=CCC3C4CCC(C4(CCC3C12CO)C)OC5(CCCCC5)OC)O

Isomeric SMILES

C[C@@H]1C[C@@H](CC2=CC[C@H]3[C@@H]4CC[C@@H]([C@]4(CC[C@@H]3[C@@]12CO)C)OC5(CCCCC5)OC)O

InChI

InChI=1S/C27H44O4/c1-18-15-20(29)16-19-7-8-21-22-9-10-24(31-26(30-3)12-5-4-6-13-26)25(22,2)14-11-23(21)27(18,19)17-28/h7,18,20-24,28-29H,4-6,8-17H2,1-3H3/t18-,20+,21+,22+,23+,24+,25+,27+/m1/s1