| SpectraBase Compound ID | JFplXK3swe5 |
|---|---|
| InChI | InChI=1S/C32H46O7/c1-16(2)19-13-24(38-18(5)33)32(28(36)37)12-11-29(6)21(26(19)32)14-22-27-30(29,7)10-9-20(17(3)4)31(27,8)23(34)15-25(35)39-22/h19-24,26-27,34H,1,3,9-15H2,2,4-8H3,(H,36,37)/t19-,20-,21?,22+,23+,24-,26+,27?,29+,30+,31+,32+/m0/s1 |
| InChIKey | TXAZFNDAGGCABX-FMUDDBAUSA-N |
| Mol Weight | 542.7 g/mol |
| Molecular Formula | C32H46O7 |
| Exact Mass | 542.324354 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2n3EnzSIRmy |
|---|---|
| Name | 22-ALPHA-ACETOXYCHIISANOGENIN;22-ALPHA-ACETOXY-1(R),11-ALPHA-DIHYDROXY-3,4-SECO-LUPA-4(23),20(29)-DIENE-3,28-DIOIC-ACID |
| Compound Number | 6B |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H46O7 |
| InChI | InChI=1S/C32H46O7/c1-16(2)19-13-24(38-18(5)33)32(28(36)37)12-11-29(6)21(26(19)32)14-22-27-30(29,7)10-9-20(17(3)4)31(27,8)23(34)15-25(35)39-22/h19-24,26-27,34H,1,3,9-15H2,2,4-8H3,(H,36,37)/t19-,20-,21?,22+,23+,24-,26+,27?,29+,30+,31+,32+/m0/s1 |
| InChIKey | TXAZFNDAGGCABX-FMUDDBAUSA-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 | 542.713 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSP1473 |