methyl (3alpha,5beta)-3-{[(4-methylphenyl)sulfonyl]oxy}-12-oxocholan-24-oate

SpectraBase Compound ID	Kudd6NTwBaR
InChI	InChI=1S/C32H46O6S/c1-20-6-10-24(11-7-20)39(35,36)38-23-16-17-31(3)22(18-23)9-12-25-27-14-13-26(21(2)8-15-30(34)37-5)32(27,4)29(33)19-28(25)31/h6-7,10-11,21-23,25-28H,8-9,12-19H2,1-5H3
InChIKey	LKBMNSVERNPXCG-UHFFFAOYSA-N Google Search
Mol Weight	558.8 g/mol
Molecular Formula	C32H46O6S
Exact Mass	558.30151 g/mol

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SpectraBase Spectrum ID	GYcWGE8jcNY
Name	methyl (3alpha,5beta)-3-{[(4-methylphenyl)sulfonyl]oxy}-12-oxocholan-24-oate
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C32H46O6S/c1-20-6-10-24(11-7-20)39(35,36)38-23-16-17-31(3)22(18-23)9-12-25-27-14-13-26(21(2)8-15-30(34)37-5)32(27,4)29(33)19-28(25)31/h6-7,10-11,21-23,25-28H,8-9,12-19H2,1-5H3
InChIKey	LKBMNSVERNPXCG-UHFFFAOYSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_15003
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: 987/00001175; Labnumber: 987/00001175218813; VK_ID: VK-015008
Synonyms	methyl 3-{[(4-methylphenyl)sulfonyl]oxy}-12-oxocholan-24-oate
Temperature	308 °C