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

*Links on SpectraBase are not permalinks.
11-ALPHA-HYDROXYPREGNA-4,17(20)-TRANS-DIENE-3,16-DIONE
SpectraBase Compound ID 4Yfm1cnjPFW
InChI InChI=1S/C21H28O3/c1-4-15-17(23)10-16-14-6-5-12-9-13(22)7-8-20(12,2)19(14)18(24)11-21(15,16)3/h4,9,14,16,18-19,24H,5-8,10-11H2,1-3H3/b15-4+/t14-,16-,18+,19+,20-,21+/m0/s1
InChIKey VFYMFJITXXVKLX-SHNSEZFKSA-N
Mol Weight 328.45 g/mol
Molecular Formula C21H28O3
Exact Mass 328.203845 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 2yw37dzFYW
Name (11-alpha,17Z)-11-Hydroxypregna-4,17-diene,3,16-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O3
InChI InChI=1S/C21H28O3/c1-4-15-17(23)10-16-14-6-5-12-9-13(22)7-8-20(12,2)19(14)18(24)11-21(15,16)3/h4,9,14,16,18-19,24H,5-8,10-11H2,1-3H3/b15-4+/t14-,16-,18+,19+,20-,21+/m0/s1
InChIKey VFYMFJITXXVKLX-SHNSEZFKSA-N
Literature Reference DOI 10.1002/cbdv.200590033
Molecular Weight 328.452 g/mol
SMILES O[C@]1([C@@]2([C@]3(CCC(C=C3CC[C@]2([C@]2([C@](C1)(\C(C(C2)=O)=C\C)C)[H])[H])=O)C)[H])[H]
SPLASH splash10-03fr-0419000000-be3aef18c5c4e0a39704
Source of Spectrum CBD-2-523-3
Synonyms (8S,9S,10R,11R,13S,14S,Z)-17-ethylidene-11-hydroxy-10,13-dimethyl-1,6,7,8,9,10,11,12,13,14,15,17-dodecahydro-3H-cyclopenta[a]phenanthrene-3,16(2H)-dione
Wiley ID 1792485