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Cholic acid, methyl ester, 3,7-diacetate

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Cholic acid, methyl ester, 3,7-diacetate
SpectraBase Compound ID J8QU8agfSyi
InChI InChI=1S/C29H46O7/c1-16(7-10-26(33)34-6)21-8-9-22-27-23(15-25(32)29(21,22)5)28(4)12-11-20(35-17(2)30)13-19(28)14-24(27)36-18(3)31/h16,19-25,27,32H,7-15H2,1-6H3/t16-,19+,20-,21-,22+,23+,24-,25+,27+,28+,29-/m1/s1
InChIKey VKXXPYARELKQOY-CXFLVZIOSA-N
Mol Weight 506.7 g/mol
Molecular Formula C29H46O7
Exact Mass 506.324354 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GUIAj9ircal
Name Cholic acid, methyl ester, 3,7-diacetate
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Comments Tentative assignment; Some carbon atoms are unassigned
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H46O7
InChI InChI=1S/C29H46O7/c1-16(7-10-26(33)34-6)21-8-9-22-27-23(15-25(32)29(21,22)5)28(4)12-11-20(35-17(2)30)13-19(28)14-24(27)36-18(3)31/h16,19-25,27,32H,7-15H2,1-6H3/t16-,19+,20-,21-,22+,23+,24-,25+,27+,28+,29-/m1/s1
InChIKey VKXXPYARELKQOY-CXFLVZIOSA-N
Molecular Weight 506.69
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms CHOLIC ACID, METHYL ESTER, 3,7-DI- ACETATE