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(1S-(1.alpha.,2.beta.,4a.beta.,4b.alpha.,8a.beta.,10a.alpha.))-Tetradecahydro-3-hydroxy-2,4b,8,8,10a-pentamethyl-1-phenanthremethanol

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

(1S-(1.alpha.,2.beta.,4a.beta.,4b.alpha.,8a.beta.,10a.alpha.))-Tetradecahydro-3-hydroxy-2,4b,8,8,10a-pentamethyl-1-phenanthremethanol
SpectraBase Compound ID 7nEpRYFALkh
InChI InChI=1S/C20H36O2/c1-13-14(12-21)19(4)10-7-16-18(2,3)8-6-9-20(16,5)17(19)11-15(13)22/h13-17,21-22H,6-12H2,1-5H3/t13-,14-,15?,16+,17+,19+,20+/m0/s1
InChIKey NHDDUSKWBSUFSV-MLSLTSBTSA-N
Mol Weight 308.5 g/mol
Molecular Formula C20H36O2
Exact Mass 308.27153 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GvDInJtIuLH
Name (1S-(1.alpha.,2.beta.,4A.beta.,4B.alpha.,8A.beta.,10A.alpha.))-tetradecahydro-3-hydroxy-2,4B,8,8,10A-pentamethyl-1-phenanthremethanol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.271530397 u
Formula C20H36O2
InChI InChI=1S/C20H36O2/c1-13-14(12-21)19(4)10-7-16-18(2,3)8-6-9-20(16,5)17(19)11-15(13)22/h13-17,21-22H,6-12H2,1-5H3/t13-,14-,15?,16+,17+,19+,20+/m0/s1
InChIKey NHDDUSKWBSUFSV-MLSLTSBTSA-N
Molecular Weight 308.506 g/mol
SMILES [C@@]12([C@]([C@@]3(CCCC([C@]3(CC2)[H])(C)C)C)(CC([C@]([C@@]1(CO)[H])(C)[H])O)[H])C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.918173