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METHYL-5-BETA-CHOL-3-ENOATE

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METHYL-5-BETA-CHOL-3-ENOATE
SpectraBase Compound ID HsKkhUhQsu
InChI InChI=1S/C25H40O2/c1-17(8-13-23(26)27-4)20-11-12-21-19-10-9-18-7-5-6-15-24(18,2)22(19)14-16-25(20,21)3/h5,7,17-22H,6,8-16H2,1-4H3/t17-,18+,19+,20-,21+,22+,24+,25-/m1/s1
InChIKey SWOCCXUIQRXEJJ-ZXKBGTPZSA-N
Mol Weight 372.6 g/mol
Molecular Formula C25H40O2
Exact Mass 372.302831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J8tnHT3Ar7o
Name 5β-chol-3-en-24-oic acid, methyl ester
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 C25H40O2
InChI InChI=1S/C25H40O2/c1-17(8-13-23(26)27-4)20-11-12-21-19-10-9-18-7-5-6-15-24(18,2)22(19)14-16-25(20,21)3/h5,7,17-22H,6,8-16H2,1-4H3/t17-,18+,19+,20-,21+,22+,24+,25-/m1/s1
InChIKey SWOCCXUIQRXEJJ-ZXKBGTPZSA-N
Molecular Weight 372.60
Solvent Chloroform-d; Reference=TMS; Temperature=25C Spectrometer= Jeol FX-90Q
Synonyms 5beta-CHOL-3-EN-24-OIC ACID, METHYL ESTER