| SpectraBase Compound ID | FjMqs6c6KlI |
|---|---|
| InChI | InChI=1S/C37H58O9/c1-19-11-16-37(32(42)43)18-17-35(6)21(25(37)20(19)2)9-10-23-34(5)14-13-24(33(3,4)22(34)12-15-36(23,35)7)45-31-28(40)26(38)27(39)29(46-31)30(41)44-8/h9,19-20,22-29,31,38-40H,10-18H2,1-8H3,(H,42,43)/t19-,20+,22+,23-,24+,25+,26+,27+,28-,29+,31-,34+,35-,36-,37+/m1/s1 |
| InChIKey | YPOBUDKLSCZLJL-OLZYCKSRSA-N |
| Mol Weight | 646.9 g/mol |
| Molecular Formula | C37H58O9 |
| Exact Mass | 646.408083 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IfqBZw6BVAe |
|---|---|
| Name | 3-BETA-HYDROXYURS-12-EN-28-OIC-ACID-3-O-BETA-D-GLUCURONOPYRANOSIDE-6'-O-METHYLESTER |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H58O9 |
| InChI | InChI=1S/C37H58O9/c1-19-11-16-37(32(42)43)18-17-35(6)21(25(37)20(19)2)9-10-23-34(5)14-13-24(33(3,4)22(34)12-15-36(23,35)7)45-31-28(40)26(38)27(39)29(46-31)30(41)44-8/h9,19-20,22-29,31,38-40H,10-18H2,1-8H3,(H,42,43)/t19-,20+,22+,23-,24+,25+,26+,27+,28-,29+,31-,34+,35-,36-,37+/m1/s1 |
| InChIKey | YPOBUDKLSCZLJL-OLZYCKSRSA-N |
| Literature Reference Author | A.S.WANAS,K.MATSUNAMI,H.OTSUKA,S.Y.DESOUKEY,M.A.FOUAD,M.S.KA MEL |
| Literature Reference Citation | CHEM.PHARM.BULL.,58,1596(2010) |
| Literature Reference DOI | 10.1248/cpb.58.1596 |
| Molecular Weight | 646.862 g/mol |
| Source File Reference | UWBT3986 |