SpectraBase Compound ID | 4xuxQEMuOxx |
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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 |
SpectraBase Spectrum ID | FF5q6yPt6CF |
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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 |