| SpectraBase Compound ID | 4ygEZQlfIgf |
|---|---|
| InChI | InChI=1S/C29H46O4/c1-24(2)20-9-12-28(6)21(26(20,4)11-10-22(24)30)8-7-18-19-17-25(3,33)13-15-29(19,23(31)32)16-14-27(18,28)5/h7,19-22,30,33H,8-17H2,1-6H3,(H,31,32)/t19-,20-,21+,22+,25+,26-,27+,28+,29-/m0/s1 |
| InChIKey | OLTNYMHTOUJXPV-FOOUEXEYSA-N |
| Mol Weight | 458.7 g/mol |
| Molecular Formula | C29H46O4 |
| Exact Mass | 458.33961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JGZXlkaXIiA |
|---|---|
| Name | SPINOGENIN-C3;3-ALPHA,20-ALPHA-DIHYDROXY-30-NOR-OLEAN-12-EN-28-OIC-ACID |
| Compound Number | 3A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H46O4 |
| InChI | InChI=1S/C29H46O4/c1-24(2)20-9-12-28(6)21(26(20,4)11-10-22(24)30)8-7-18-19-17-25(3,33)13-15-29(19,23(31)32)16-14-27(18,28)5/h7,19-22,30,33H,8-17H2,1-6H3,(H,31,32)/t19-,20-,21+,22+,25+,26-,27+,28+,29-/m0/s1 |
| InChIKey | OLTNYMHTOUJXPV-FOOUEXEYSA-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 | 458.682 g/mol |
| Sample ID | 52616 |
| Solvent | C5D5N |