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

*Links on SpectraBase are not permalinks.

(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-diacetoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

Compound with spectra: 1 MS (GC)

(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-diacetoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
SpectraBase Compound ID K0pvgZp5Ug5
InChI InChI=1S/C28H44O6/c1-16(6-11-26(31)32)22-9-10-23-21-8-7-19-14-20(33-17(2)29)12-13-27(19,4)24(21)15-25(28(22,23)5)34-18(3)30/h16,19-25H,6-15H2,1-5H3,(H,31,32)/t16-,19-,20-,21+,22-,23+,24+,25+,27+,28-/m1/s1
InChIKey LUOPZKZFPIQXAL-SBPFXFOVSA-N
Mol Weight 476.7 g/mol
Molecular Formula C28H44O6
Exact Mass 476.313789 g/mol
Enantiomer InChIKey LUOPZKZFPIQXAL-XDCIMCGCSA-N

View Spectrum of (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-diacetoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum SK-27-771-2
Cholan-24-oic acid, 3,12-bis(acetyloxy)-, (3.alpha.,5.beta.,12.alpha.)-
Methyl-3α,12α-diacetoxycholanate
Cholestan-24-one, 3,12-bis(acetyloxy)-, (3.alpha.,5.beta.,12.alpha.)-
3.alpha.-Hydroxy-12.alpha.-acetoxy-5.beta.-cholan-24-oic acid
24-Norcholan-23-oic acid, 3,12-bis(acetyloxy)-, methyl ester, (3.alpha.,5.beta.,12.alpha.)-
24-Norchol-22-ene-3,12-diol, diacetate, (3.alpha.,5.beta.,12.alpha.)-
3.alpha.-Acetoxy-12.alpha.-formyloxy-23-iodo-24-nor-5.beta.-cholane
3,12-Dihydroxycholan-24-oic acid, diformate
DMSCVEHDOAOKOT-QCOTVOHDSA-N
3alpha-Ethoxycarbonyloxy-12alpha-methylsulfonyloxy-5beta-cholan-acid-methyl ester
Other Resources
Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.