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

*Links on SpectraBase are not permalinks.
16,16-D2-5a,14b-pregn-8-en-3b-ol-11-one
SpectraBase Compound ID AgqMHAqH7TU
InChI InChI=1S/C21H32O2/c1-4-13-6-8-17-16-7-5-14-11-15(22)9-10-20(14,2)19(16)18(23)12-21(13,17)3/h13-15,17,22H,4-12H2,1-3H3/t13?,14-,15-,17+,20-,21+/m0/s1/i6D2
InChIKey HHYGUTBMQHNBKZ-XXCISIRHSA-N
Mol Weight 318.5 g/mol
Molecular Formula C21H302D2O2
Exact Mass 318.252784 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID JE39xk743Py
Name 16,16-D2-5a,14b-pregn-8-en-3b-ol-11-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30D2O2
InChI InChI=1S/C21H32O2/c1-4-13-6-8-17-16-7-5-14-11-15(22)9-10-20(14,2)19(16)18(23)12-21(13,17)3/h13-15,17,22H,4-12H2,1-3H3/t13?,14-,15-,17+,20-,21+/m0/s1/i6D2
InChIKey HHYGUTBMQHNBKZ-XXCISIRHSA-N
Molecular Weight 318.497 g/mol
SMILES O[C@]1(CC[C@@]2(C3=C([C@]4(CC([2D])([2D])C([C@]4(CC3=O)C)CC)[H])CC[C@]2(C1)[H])C)[H]
SPLASH splash10-014i-4965000000-e9f2d4e0713c1f30d5ed
Source of Spectrum SD-1992-0-0
Wiley ID 1317319