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

*Links on SpectraBase are not permalinks.
(2'S)-17.beta.-propanoyloxy-1.alpha(1')-3.alpha.(3')-(2'-hydroxypropano)-4-androsten-3.beta.-ol
SpectraBase Compound ID EoN1dxzyMac
InChI InChI=1S/C25H38O4/c1-4-22(27)29-21-8-7-19-18-6-5-15-12-25(28)13-16(11-17(26)14-25)24(15,3)20(18)9-10-23(19,21)2/h12,16-21,26,28H,4-11,13-14H2,1-3H3/t16-,17+,18-,19-,20-,21?,23-,24+,25+/m0/s1
InChIKey MMCBOWXBVHGSQU-SPXLPSMMSA-N
Mol Weight 402.6 g/mol
Molecular Formula C25H38O4
Exact Mass 402.27701 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 EKkn8o5CsGT
Name (2'S)-17.beta.-propanoyloxy-1.alpha(1')-3.alpha.(3')-(2'-hydroxypropano)-4-androsten-3.beta.-ol
CAS Registry Number 115115-70-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H38O4
InChI InChI=1S/C25H38O4/c1-4-22(27)29-21-8-7-19-18-6-5-15-12-25(28)13-16(11-17(26)14-25)24(15,3)20(18)9-10-23(19,21)2/h12,16-21,26,28H,4-11,13-14H2,1-3H3/t16-,17+,18-,19-,20-,21?,23-,24+,25+/m0/s1
InChIKey MMCBOWXBVHGSQU-SPXLPSMMSA-N
Molecular Weight 402.575 g/mol
SMILES O[C@@]1(C[C@]2(C[C@](C=C3[C@]2([C@]2(CC[C@@]4(C(CC[C@]4([C@@]2(CC3)[H])[H])OC(=O)CC)C)[H])C)(C1)O)[H])[H]
SPLASH splash10-0f79-0009700000-687de40cee8b0e700142
Source of Spectrum F-43-2133-8
Synonyms (1S,2R,3S,6S,10S,11R,16R,18R)-16,18-dihydroxy-2,6-dimethylpentacyclo[14.3.1.0(2,14).0(3,11).0(6,10)]icos-14-en-7-yl propionate
Wiley ID 1370567