| SpectraBase Compound ID | 3QaKuVKLSwQ |
|---|---|
| InChI | InChI=1S/C36H56O10/c1-31(18-38)12-14-36(30(44)46-29-28(43)27(42)26(41)22(17-37)45-29)15-13-34(4)20(21(36)16-31)6-7-24-32(2)10-9-25(40)33(3,19-39)23(32)8-11-35(24,34)5/h6,19,21-29,37-38,40-43H,7-18H2,1-5H3/t21-,22+,23+,24+,25+,26+,27-,28+,29-,31+,32-,33-,34+,35+,36-/m0/s1 |
| InChIKey | RQUPISPZJQVAAL-PPXNTVIXSA-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 | 26AT7WeCDVt |
|---|---|
| Name | SPINOGENIN-C2-MONOGLUCOSYLESTER;3-ALPHA,30-DIHYDROXY-23-OXO-OLEAN-12-EN-28-O-BETA-D-GLUCOPYRANOSYL-ACIDESTER |
| Compound Number | 2B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H56O10 |
| InChI | InChI=1S/C36H56O10/c1-31(18-38)12-14-36(30(44)46-29-28(43)27(42)26(41)22(17-37)45-29)15-13-34(4)20(21(36)16-31)6-7-24-32(2)10-9-25(40)33(3,19-39)23(32)8-11-35(24,34)5/h6,19,21-29,37-38,40-43H,7-18H2,1-5H3/t21-,22+,23+,24+,25+,26+,27-,28+,29-,31+,32-,33-,34+,35+,36-/m0/s1 |
| InChIKey | RQUPISPZJQVAAL-PPXNTVIXSA-N |
| Literature Reference Author | M.MIYAKOSHI,S.ISODA,H.SATO,Y.HIRAI,J.SHOJI,Y.IDA |
| Literature Reference Citation | PHYTOCHEM.,46,1255(1997) |
| Literature Reference DOI | 10.1016/s0031-9422(97)80022-2 |
| Molecular Weight | 648.835 g/mol |
| Sample ID | 52615 |
| Solvent | C5D5N |