(3R,5R,9R,10S,11R,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2R,4S)-6-methyl-4-oxidanyl-hept-5-en-2-yl]-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-diol

Systemtic Name: (3R,5R,9R,10S,11R,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2R,4S)-6-methyl-4-oxidanyl-hept-5-en-2-yl]-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-diol Openeye Name: (3R,5R,9R,10S,11R,13S,14S,17S)-17-[(1R,3S)-3-hydroxy-1,5-dimethyl-hex-4-enyl]-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-diol CAS Name: (3R,5R,9R,10S,11R,13S,14S,17S)-17-[(2R,4S)-4-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-diol IUPAC Name: (3R,5R,9R,10S,11R,13S,14S,17S)-17-[(2R,4S)-4-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-diol Traditional Name: (3R,5R,9R,10S,11R,13S,14S,17S)-17-[(1R,3S)-3-hydroxy-1,5-dimethyl-hex-4-enyl]-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-diol Formula: C30H50O3 MolecularWeight: 458.7162

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C=C(C)C)O)C1CCC2(C1(CC(C3C2=CCC4C3(CCC(C4(C)C)O)C)O)C)C

Isomeric SMILES

C[C@H](C[C@@H](C=C(C)C)O)[C@@H]1CC[C@]2([C@]1(C[C@H]([C@H]3C2=CC[C@@H]4[C@@]3(CC[C@H](C4(C)C)O)C)O)C)C

InChI

InChI=1S/C30H50O3/c1-18(2)15-20(31)16-19(3)21-11-14-29(7)22-9-10-24-27(4,5)25(33)12-13-28(24,6)26(22)23(32)17-30(21,29)8/h9,15,19-21,23-26,31-33H,10-14,16-17H2,1-8H3/t19-,20-,21+,23-,24+,25-,26-,28+,29-,30+/m1/s1