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24-Norchola-5,17(20)-diene-23,23-dicarboxylic acid, 3-(acetyloxy)-16-hydroxy-, diethyl ester, (3.beta.,16.alpha.,17Z)-
SpectraBase Compound ID 9nMIOK00Qxw
InChI InChI=1S/C31H46O7/c1-7-36-28(34)23(29(35)37-8-2)15-18(3)27-26(33)17-25-22-10-9-20-16-21(38-19(4)32)11-13-30(20,5)24(22)12-14-31(25,27)6/h9,21-26,33H,7-8,10-17H2,1-6H3/b27-18+/t21-,22?,24?,25?,26+,30-,31-/m0/s1
InChIKey RILOGNBMTMADPT-BWCVYHICSA-N
Mol Weight 530.7 g/mol
Molecular Formula C31H46O7
Exact Mass 530.324354 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2MYlO74h16
Name 24-Norchola-5,17(20)-diene-23,23-dicarboxylic acid, 3-(acetyloxy)-16-hydroxy-, diethyl ester, (3.beta.,16.alpha.,17Z)-
Alternate Name(s) 1,3-Diethyl 2-{2-[(2R,5S,13R,14Z,15S)-5-(acetyloxy)-13-hydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-en-14-ylidene]propyl}propanedioate 3-Acetoxy-17-(methyl-di(ethoxycarbonyl)ethyl-methylene)-16-hydroxy-cholestane
CAS Registry Number 115320-77-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H46O7
InChI InChI=1S/C31H46O7/c1-7-36-28(34)23(29(35)37-8-2)15-18(3)27-26(33)17-25-22-10-9-20-16-21(38-19(4)32)11-13-30(20,5)24(22)12-14-31(25,27)6/h9,21-26,33H,7-8,10-17H2,1-6H3/b27-18+/t21-,22?,24?,25?,26+,30-,31-/m0/s1
InChIKey RILOGNBMTMADPT-BWCVYHICSA-N
Molecular Weight 530.702 g/mol
SMILES O[C@]1(\C([C@@]2(C(C3CC=C4[C@@](C3CC2)(CC[C@](OC(=O)C)(C4)[H])C)C1)C)=C/(CC(C(=O)OCC)C(=O)OCC)C)[H]
SPLASH splash10-03k9-0901200000-ad487082aabd3f9dfa98
Source of Spectrum J-53-3472-10
Wiley ID 1403362