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COMBrEGENIN;2-ALPHA,3-BETA,6-BETA,19-ALPHA,23-PENTAHYDROXY-OLEAN-12-EN-28-OIC-ACID
SpectraBase Compound ID 4xuxQEMuOxx
InChI InChI=1S/C30H48O7/c1-25(2)9-11-30(24(36)37)12-10-28(5)16(20(30)23(25)35)7-8-19-26(3)13-18(33)22(34)27(4,15-31)21(26)17(32)14-29(19,28)6/h7,17-23,31-35H,8-15H2,1-6H3,(H,36,37)/t17-,18-,19-,20-,21-,22+,23+,26-,27+,28-,29-,30+/m1/s1
InChIKey LAWNQNSEWSQLCF-KUTLWIFSSA-N
Mol Weight 520.7 g/mol
Molecular Formula C30H48O7
Exact Mass 520.340004 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FF5q6yPt6CF
Name COMBrEGENIN;2-ALPHA,3-BETA,6-BETA,19-ALPHA,23-PENTAHYDROXY-OLEAN-12-EN-28-OIC-ACID
Compound Number 1
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H48O7
InChI InChI=1S/C30H48O7/c1-25(2)9-11-30(24(36)37)12-10-28(5)16(20(30)23(25)35)7-8-19-26(3)13-18(33)22(34)27(4,15-31)21(26)17(32)14-29(19,28)6/h7,17-23,31-35H,8-15H2,1-6H3,(H,36,37)/t17-,18-,19-,20-,21-,22+,23+,26-,27+,28-,29-,30+/m1/s1
InChIKey LAWNQNSEWSQLCF-KUTLWIFSSA-N
Literature Reference Author A.JOSSANG,M.SEULEIMAN,E.MAIDOU,B.BODO
Literature Reference Citation PHYTOCHEM.,41,591(1996)
Literature Reference DOI 10.1016/0031-9422(95)00641-9
Molecular Weight 520.707 g/mol
Solvent CD3OD
Source File Reference UWLU3975