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

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

(3S,5S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-6,6-difluoro-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
SpectraBase Compound ID 4GFiqWYGEmT
InChI InChI=1S/C27H46F2O/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-27(28,29)24-15-19(30)11-13-26(24,5)23(20)12-14-25(21,22)4/h17-24,30H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24+,25-,26-/m1/s1
InChIKey GCSYTTZVUJTCEY-VDOHLUMYSA-N
Mol Weight 424.7 g/mol
Molecular Formula C27H46F2O
Exact Mass 424.351672 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GcxiPCFseB2
Name (3S,5S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-6,6-difluoro-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[A]phenanthren-3-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.351672426 u
Formula C27H46F2O
InChI InChI=1S/C27H46F2O/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-27(28,29)24-15-19(30)11-13-26(24,5)23(20)12-14-25(21,22)4/h17-24,30H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24+,25-,26-/m1/s1
InChIKey GCSYTTZVUJTCEY-VDOHLUMYSA-N
Molecular Weight 424.661 g/mol
SMILES [C@]1(CC[C@]2([C@](C1)(C(C[C@]1([C@@]3(CC[C@]([C@@](CCCC(C)C)(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])(F)F)[H])C)(O)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.867028