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3-ALPHA-ACETOXY-12-ACETOXY-METHYL-5-BETA-CHOL-6-ENOATE

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3-ALPHA-ACETOXY-12-ACETOXY-METHYL-5-BETA-CHOL-6-ENOATE
SpectraBase Compound ID 28B7fTpmHkj
InChI InChI=1S/C29H44O6/c1-17(7-12-27(32)33-6)23-10-11-24-22-9-8-20-15-21(34-18(2)30)13-14-28(20,4)25(22)16-26(29(23,24)5)35-19(3)31/h8-9,17,20-26H,7,10-16H2,1-6H3/t17-,20-,21-,22+,23-,24+,25+,26+,28+,29-/m1/s1
InChIKey RHWCHIRIOBZLHF-XEYIWHDDSA-N
Mol Weight 488.7 g/mol
Molecular Formula C29H44O6
Exact Mass 488.313789 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IKzp8dUqgDA
Name 3α,12α-dihydroxy-5β-chol-6-en-24-oic acid, methyl ester, diacetate
Source of Sample T. Iida, Nihon University, Fukushima, Japan J. Goto and T. Nambara, Tohoku University, Sendai, Japan Magn. Reson. Chem. 31, 421(1993)
Comments Intensities undefined
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H44O6
InChI InChI=1S/C29H44O6/c1-17(7-12-27(32)33-6)23-10-11-24-22-9-8-20-15-21(34-18(2)30)13-14-28(20,4)25(22)16-26(29(23,24)5)35-19(3)31/h8-9,17,20-26H,7,10-16H2,1-6H3/t17-,20-,21-,22+,23-,24+,25+,26+,28+,29-/m1/s1
InChIKey RHWCHIRIOBZLHF-XEYIWHDDSA-N
Molecular Weight 488.67
Solvent Chloroform-d; Reference=TMS; Temperature=25C Spectrometer= Jeol FX-90Q
Synonyms 5beta-CHOL-6-EN-24-OIC ACID, 3alpha,12alpha-DIHYDROXY-, METHYL ESTER, DIACETATE