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

*Links on SpectraBase are not permalinks.
3.beta.-Hydroxyandrost-5-en-7,17-dione - 7-{ O-[3'-(methoxycarbonyl)propyl]}oxime
SpectraBase Compound ID 4KPVWBMFaTQ
InChI InChI=1S/C23H33NO5/c1-22-9-7-15(25)12-14(22)13-18(24-29-11-3-4-20(27)28)21-16-5-6-19(26)23(16,2)10-8-17(21)22/h13,15-17,21,25H,3-12H2,1-2H3,(H,27,28)/b24-18-/t15-,16-,17-,21-,22-,23-/m0/s1
InChIKey YXRLVAVTFVANAK-XXXHTWFFSA-N
Mol Weight 403.5 g/mol
Molecular Formula C23H33NO5
Exact Mass 403.235873 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 I7YIXGEBdU4
Name 3.beta.-Hydroxyandrost-5-en-7,17-dione - 7-{ O-[3'-(methoxycarbonyl)propyl]}oxime
Alternate Name(s) 3.beta.-Hydroxyandrost-5-en-7,17-dione-7-{O-[3'-(oxycarbonyl)propyl]}oxime 4-[(3S,8R,9S,10R,13S,14S)-3-Hydroxy-10,13-dimethyl-17-oxo-1,2,3,4,8,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-(7E)-ylideneaminooxy]-butyric acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H33NO5
InChI InChI=1S/C23H33NO5/c1-22-9-7-15(25)12-14(22)13-18(24-29-11-3-4-20(27)28)21-16-5-6-19(26)23(16,2)10-8-17(21)22/h13,15-17,21,25H,3-12H2,1-2H3,(H,27,28)/b24-18-/t15-,16-,17-,21-,22-,23-/m0/s1
InChIKey YXRLVAVTFVANAK-XXXHTWFFSA-N
Molecular Weight 403.519 g/mol
SMILES OC(CCCO\N=C\1C=C2[C@](CC[C@@](C2)(O)[H])([C@]2(CC[C@@]3(C(CC[C@]3([C@]12[H])[H])=O)C)[H])C)=O
SPLASH splash10-0c03-0591000000-509a82d5ad1dddf225a5
Source of Spectrum G-62-465-12
Wiley ID 749270