(3S,8R,9S,10S,13S,14S,17R)-17-ethynyl-10-(hydroxymethyl)-13-methyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol

Systemtic Name: (3S,8R,9S,10S,13S,14S,17R)-17-ethynyl-10-(hydroxymethyl)-13-methyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol Openeye Name: (3S,8R,9S,10S,13S,14S,17R)-17-ethynyl-10-(hydroxymethyl)-13-methyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol CAS Name: (3S,8R,9S,10S,13S,14S,17R)-17-ethynyl-10-(hydroxymethyl)-13-methyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol IUPAC Name: (3S,8R,9S,10S,13S,14S,17R)-17-ethynyl-10-(hydroxymethyl)-13-methyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol Traditional Name: (3S,8R,9S,10S,13S,14S,17R)-17-ethynyl-13-methyl-10-methylol-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol Formula: C21H30O3 MolecularWeight: 330.4611

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2(C#C)O)CC=C4C3(CCC(C4)O)CO

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CC=C4[C@@]3(CC[C@@H](C4)O)CO

InChI

InChI=1S/C21H30O3/c1-3-21(24)11-8-17-16-5-4-14-12-15(23)6-10-20(14,13-22)18(16)7-9-19(17,21)2/h1,4,15-18,22-24H,5-13H2,2H3/t15-,16-,17-,18-,19-,20+,21-/m0/s1