| SpectraBase Compound ID | 2Cp6a1hLUUk |
|---|---|
| InChI | InChI=1S/C32H50O6/c1-19(34)38-25-16-27(4,17-33)14-22-31(25)18-37-32(22)13-9-21-28(5)11-10-23(35)26(2,3)20(28)8-12-29(21,6)30(32,7)15-24(31)36/h17,20-25,35-36H,8-16,18H2,1-7H3/t20-,21+,22+,23-,24+,25+,27+,28-,29+,30-,31-,32-/m0/s1 |
| InChIKey | XEDAOYZUWVVSKB-BRJXKIQKSA-N |
| Mol Weight | 530.7 g/mol |
| Molecular Formula | C32H50O6 |
| Exact Mass | 530.360739 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3y2pzU9y27N |
|---|---|
| Name | ANDROSACENOL;22-BETA-ACETOXY-3-BETA,16-ALPHA-DIHYDROXY-13-BETA:28-EPOXY-OLEANAN-30-AL |
| Compound Number | 130 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H50O6 |
| InChI | InChI=1S/C32H50O6/c1-19(34)38-25-16-27(4,17-33)14-22-31(25)18-37-32(22)13-9-21-28(5)11-10-23(35)26(2,3)20(28)8-12-29(21,6)30(32,7)15-24(31)36/h17,20-25,35-36H,8-16,18H2,1-7H3/t20-,21+,22+,23-,24+,25+,27+,28-,29+,30-,31-,32-/m0/s1 |
| InChIKey | XEDAOYZUWVVSKB-BRJXKIQKSA-N |
| Literature Reference Author | S.B.MAHATO,A.P.KUNDU |
| Literature Reference Citation | PHYTOCHEM.,37,1517(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)89569-2 |
| Molecular Weight | 530.745 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS5230 |