| SpectraBase Compound ID | B0QqIykiq9Z |
|---|---|
| InChI | InChI=1S/C36H56O10/c1-18-9-12-36(31(44)46-30-28(42)27(41)26(40)22(16-37)45-30)14-13-34(5)20(25(36)19(18)2)7-8-24-32(3)15-21(39)29(43)33(4,17-38)23(32)10-11-35(24,34)6/h7-8,18-19,21-24,26-30,37-43H,9-17H2,1-6H3/t18-,19+,21-,22-,23-,24-,26-,27+,28-,29+,30+,32+,33+,34-,35-,36+/m1/s1 |
| InChIKey | YINSJSDSZOATAN-BHYVQMTLSA-N |
| Mol Weight | 648.8 g/mol |
| Molecular Formula | C36H56O10 |
| Exact Mass | 648.387348 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5VhsD2V8bJw |
|---|---|
| Name | RUBUSIDE_H;2-ALPHA,3-BETA,23-TRIHYDROXY-URS-11,13-(18)-DIEN-28_OIC_ACID_28-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H56O10 |
| InChI | InChI=1S/C36H56O10/c1-18-9-12-36(31(44)46-30-28(42)27(41)26(40)22(16-37)45-30)14-13-34(5)20(25(36)19(18)2)7-8-24-32(3)15-21(39)29(43)33(4,17-38)23(32)10-11-35(24,34)6/h7-8,18-19,21-24,26-30,37-43H,9-17H2,1-6H3/t18-,19+,21-,22-,23-,24-,26-,27+,28-,29+,30+,32+,33+,34-,35-,36+/m1/s1 |
| InChIKey | YINSJSDSZOATAN-BHYVQMTLSA-N |
| Literature Reference Author | W.LI,H.FU,H.BAI,T.SASAKI,H.KATO,K.KOIKE |
| Literature Reference Citation | J.NAT.PROD.,72,1755(2009) |
| Literature Reference DOI | 10.1021/np900237a |
| Molecular Weight | 648.835 g/mol |
| Sample ID | 33622 |
| Solvent | C5D5N |