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3-O-ACETYL-16-ALPHA-HYDROXY-DEHYDROTRAMETENOLIC-ACID
SpectraBase Compound ID 53WxM2qTVyN
InChI InChI=1S/C32H48O5/c1-19(2)10-9-11-21(28(35)36)27-24(34)18-32(8)23-12-13-25-29(4,5)26(37-20(3)33)15-16-30(25,6)22(23)14-17-31(27,32)7/h10,12,14,21,24-27,34H,9,11,13,15-18H2,1-8H3,(H,35,36)/t21?,24-,25+,26+,27+,30-,31-,32+/m1/s1
InChIKey DLBLMTCYISHWGP-ZGWIZTTPSA-N
Mol Weight 512.7 g/mol
Molecular Formula C32H48O5
Exact Mass 512.350175 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DxdjYBEDWqT
Name 3-O-ACETYL-16-ALPHA-HYDROXY-DEHYDROTRAMETENOLIC-ACID
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H48O5
InChI InChI=1S/C32H48O5/c1-19(2)10-9-11-21(28(35)36)27-24(34)18-32(8)23-12-13-25-29(4,5)26(37-20(3)33)15-16-30(25,6)22(23)14-17-31(27,32)7/h10,12,14,21,24-27,34H,9,11,13,15-18H2,1-8H3,(H,35,36)/t21?,24-,25+,26+,27+,30-,31-,32+/m1/s1
InChIKey DLBLMTCYISHWGP-ZGWIZTTPSA-N
Literature Reference Author T.TAI,T.SHINGU,T.KIKUCHI,Y.TEZUKA,A.AKAHORI
Literature Reference Citation PHYTOCHEM.,40,225(1995)
Literature Reference DOI 10.1016/0031-9422(95)00182-7
Molecular Weight 512.730 g/mol
Solvent C5D5N
Source File Reference UWVN3441