For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-phenyl-1,4,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-5-ol

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

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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID GRPpCCNavpM
Name (5R,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-phenyl-1,4,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[A]phenanthren-5-ol
Comments Computed using SmartSpectra Model v1.42
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)28-14-15-29-27-17-21-33(34)22-26(25-12-7-6-8-13-25)16-20-32(33,5)30(27)18-19-31(28,29)4/h6-8,12-13,16,23-24,27-30,34H,9-11,14-15,17-22H2,1-5H3/t24-,27+,28-,29+,30+,31-,32-,33-/m1/s1
InChIKey AELPWKCRNOECPS-GDAOSRGESA-N
Molecular Weight 462.762 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC=C(C=2C=CC=CC2)C4)C)O)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.824496