| SpectraBase Compound ID | 7mXrCmTApmn |
|---|---|
| InChI | InChI=1S/C35H56O9/c1-30(2)22-9-12-34(6)23(32(22,4)11-10-24(30)37)8-7-19-20-17-31(3,42)13-15-35(20,16-14-33(19,34)5)29(41)44-28-27(40)26(39)25(38)21(18-36)43-28/h7,20-28,36-40,42H,8-18H2,1-6H3/t20-,21+,22-,23+,24+,25+,26-,27+,28-,31+,32-,33+,34+,35-/m0/s1 |
| InChIKey | SFVRXKFOXANJSU-CRNCOTHESA-N |
| Mol Weight | 620.8 g/mol |
| Molecular Formula | C35H56O9 |
| Exact Mass | 620.392433 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JMuGSJK79n8 |
|---|---|
| Name | SPINOGENIN-C3-MONOGLUCOSYLESTER;3-ALPHA,20-ALPHA-DIHYDROXY-30-NOR-OLEAN-12-EN-28-O-BETA-D-GLUCOPYRANOSYL-ACIDESTER |
| Compound Number | 3B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H56O9 |
| InChI | InChI=1S/C35H56O9/c1-30(2)22-9-12-34(6)23(32(22,4)11-10-24(30)37)8-7-19-20-17-31(3,42)13-15-35(20,16-14-33(19,34)5)29(41)44-28-27(40)26(39)25(38)21(18-36)43-28/h7,20-28,36-40,42H,8-18H2,1-6H3/t20-,21+,22-,23+,24+,25+,26-,27+,28-,31+,32-,33+,34+,35-/m0/s1 |
| InChIKey | SFVRXKFOXANJSU-CRNCOTHESA-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 | 620.824 g/mol |
| Sample ID | 52617 |
| Solvent | C5D5N |