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12-O-CINNAMOYL-20-O-E-2-METHYL-2-BUTENOYL-(20S)-PREGN-6-ENE-3-BETA,5-ALPHA,8-BETA,12-BETA,14-BETA,17-BETA,20-HEPTOL
SpectraBase Compound ID A1BA7H7cztc
InChI InChI=1S/C35H46O9/c1-6-22(2)29(38)43-23(3)33(40)18-19-35(42)31(33,5)27(44-28(37)13-12-24-10-8-7-9-11-24)20-26-30(4)15-14-25(36)21-32(30,39)16-17-34(26,35)41/h6-13,16-17,23,25-27,36,39-42H,14-15,18-21H2,1-5H3/b13-12+,22-6+/t23?,25-,26?,27+,30+,31+,32+,33+,34-,35+/m0/s1
InChIKey MPSUNEYIVKMSKH-VBGSKRAWSA-N
Mol Weight 610.7 g/mol
Molecular Formula C35H46O9
Exact Mass 610.314183 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2gabMYVvBAo
Name 12-O-CINNAMOYL-20-O-E-2-METHYL-2-BUTENOYL-(20S)-PREGN-6-ENE-3-BETA,5-ALPHA,8-BETA,12-BETA,14-BETA,17-BETA,20-HEPTOL
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H46O9
InChI InChI=1S/C35H46O9/c1-6-22(2)29(38)43-23(3)33(40)18-19-35(42)31(33,5)27(44-28(37)13-12-24-10-8-7-9-11-24)20-26-30(4)15-14-25(36)21-32(30,39)16-17-34(26,35)41/h6-13,16-17,23,25-27,36,39-42H,14-15,18-21H2,1-5H3/b13-12+,22-6+/t23?,25-,26?,27+,30+,31+,32+,33+,34-,35+/m0/s1
InChIKey MPSUNEYIVKMSKH-VBGSKRAWSA-N
Literature Reference Author K.YOSHIKAWA,K.MATSUCHIKA,S.ARIHARA,H.C.CHANG,J.D.WANG
Literature Reference Citation CHEM.PHARM.BULL.,46,1239(1998)
Literature Reference DOI 10.1248/cpb.46.1239
Molecular Weight 610.745 g/mol
Solvent C5D5N
Source File Reference UWMS20376