| SpectraBase Compound ID | DtIU6bhnGZD |
|---|---|
| InChI | InChI=1S/C30H44O6/c1-15(2)17-12-22(32)30(26(34)35)11-10-27(5)19(24(17)30)13-20-25-28(27,6)9-8-18(16(3)4)29(25,7)21(31)14-23(33)36-20/h17-22,24-25,31-32H,1,3,8-14H2,2,4-7H3,(H,34,35)/t17-,18-,19?,20+,21+,22-,24+,25?,27+,28+,29+,30+/m0/s1 |
| InChIKey | ZLXPGZOSKBAEMR-PWPBCNHPSA-N |
| Mol Weight | 500.7 g/mol |
| Molecular Formula | C30H44O6 |
| Exact Mass | 500.313789 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A9GsWDnajU5 |
|---|---|
| Name | 22-ALPHA-HYDROXYCHIISANOGENIN;1(R),11-ALPHA,22-ALPHA-TRIHYDROXY-3,4-SECO-LUPA-4(23),20(29)-DIENE-3,28-DIOIC-ACID |
| Compound Number | 6A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H44O6 |
| InChI | InChI=1S/C30H44O6/c1-15(2)17-12-22(32)30(26(34)35)11-10-27(5)19(24(17)30)13-20-25-28(27,6)9-8-18(16(3)4)29(25,7)21(31)14-23(33)36-20/h17-22,24-25,31-32H,1,3,8-14H2,2,4-7H3,(H,34,35)/t17-,18-,19?,20+,21+,22-,24+,25?,27+,28+,29+,30+/m0/s1 |
| InChIKey | ZLXPGZOSKBAEMR-PWPBCNHPSA-N |
| Literature Reference Author | K.SHIRASUNA,M.MIYAKOSHI,S.MIMOTO,S.ISODA,Y.SATOH,Y.HIRAI,Y.I DA,J.SHOJI |
| Literature Reference Citation | PHYTOCHEM.,45,579(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00017-4 |
| Molecular Weight | 500.676 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSP1472 |