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(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-phenyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-phenyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
SpectraBase Compound ID 2LAx8DmFhmL
InChI InChI=1S/C33H50O/c1-23(2)10-9-11-24(3)28-16-17-29-27-15-14-26-22-33(34,25-12-7-6-8-13-25)21-20-31(26,4)30(27)18-19-32(28,29)5/h6-8,12-14,23-24,27-30,34H,9-11,15-22H2,1-5H3/t24-,27+,28-,29+,30+,31+,32-,33+/m1/s1
InChIKey ZUASWACFLAZIFP-WTYWWUPASA-N
Mol Weight 462.8 g/mol
Molecular Formula C33H50O
Exact Mass 462.386166 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 25Zy6AZyUJo
Name (3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-phenyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[A]phenanthren-3-ol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 462.386166229 u
Formula C33H50O
InChI InChI=1S/C33H50O/c1-23(2)10-9-11-24(3)28-16-17-29-27-15-14-26-22-33(34,25-12-7-6-8-13-25)21-20-31(26,4)30(27)18-19-32(28,29)5/h6-8,12-14,23-24,27-30,34H,9-11,15-22H2,1-5H3/t24-,27+,28-,29+,30+,31+,32-,33+/m1/s1
InChIKey ZUASWACFLAZIFP-WTYWWUPASA-N
Molecular Weight 462.762 g/mol
SMILES [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](C=2C=CC=CC2)(O)C4)C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C