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

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(2R,3S,5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-phenyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-2,5-diol
SpectraBase Compound ID 9nJoe0bNLLf
InChI InChI=1S/C33H52O2/c1-22(2)10-9-11-23(3)27-14-15-28-25-16-19-33(35)20-26(24-12-7-6-8-13-24)30(34)21-32(33,5)29(25)17-18-31(27,28)4/h6-8,12-13,22-23,25-30,34-35H,9-11,14-21H2,1-5H3/t23-,25+,26+,27-,28+,29+,30-,31-,32-,33-/m1/s1
InChIKey DRWMTGJTIXLEAT-SEUHFDEDSA-N
Mol Weight 480.8 g/mol
Molecular Formula C33H52O2
Exact Mass 480.396731 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID H92okc5JrzQ
Name (2R,3S,5R,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-phenyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[A]phenanthrene-2,5-diol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 480.396730912 u
Formula C33H52O2
InChI InChI=1S/C33H52O2/c1-22(2)10-9-11-23(3)27-14-15-28-25-16-19-33(35)20-26(24-12-7-6-8-13-24)30(34)21-32(33,5)29(25)17-18-31(27,28)4/h6-8,12-13,22-23,25-30,34-35H,9-11,14-21H2,1-5H3/t23-,25+,26+,27-,28+,29+,30-,31-,32-,33-/m1/s1
InChIKey DRWMTGJTIXLEAT-SEUHFDEDSA-N
Molecular Weight 480.777 g/mol
SMILES [C@@]12([C@](C[C@]([C@@](C2)(O)[H])(C=2C=CC=CC2)[H])(CC[C@]2([C@@]3(CC[C@@]([C@]3(CC[C@]12[H])C)([C@@](CCCC(C)C)(C)[H])[H])[H])[H])O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.84048