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2-ALPHA,3-BETA,23-TRIHYDROXY-URS-12,19-DIEN-28-OIC-ACID-METHYLESTER
SpectraBase Compound ID GxzpvCJMNus
InChI InChI=1S/C31H48O5/c1-18-10-13-31(26(35)36-7)15-14-29(5)20(24(31)19(18)2)8-9-23-27(3)16-21(33)25(34)28(4,17-32)22(27)11-12-30(23,29)6/h8,21-25,32-34H,9-17H2,1-7H3/t21-,22-,23-,24+,25+,27+,28+,29-,30-,31+/m1/s1
InChIKey WNEPSXGURYMBKK-NIKMKXIISA-N
Mol Weight 500.7 g/mol
Molecular Formula C31H48O5
Exact Mass 500.350175 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8JELui1ocq2
Name 2-ALPHA,3-BETA,23-TRIHYDROXY-URS-12,19-DIEN-28-OIC-ACID-METHYLESTER
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H48O5
InChI InChI=1S/C31H48O5/c1-18-10-13-31(26(35)36-7)15-14-29(5)20(24(31)19(18)2)8-9-23-27(3)16-21(33)25(34)28(4,17-32)22(27)11-12-30(23,29)6/h8,21-25,32-34H,9-17H2,1-7H3/t21-,22-,23-,24+,25+,27+,28+,29-,30-,31+/m1/s1
InChIKey WNEPSXGURYMBKK-NIKMKXIISA-N
Literature Reference Author M.ONO,M.TATEISHI,H.KOBAYASHI,K.IGOSHI,H.KAMATSU,Y.ITO,T.NOHA RA
Literature Reference Citation CHEM.PHARM.BULL.,51,200(2003)
Literature Reference DOI 10.1248/cpb.51.200
Molecular Weight 500.719 g/mol
Solvent CDCl3
Source File Reference UWMS21123