| SpectraBase Compound ID | INwepzUPosb |
|---|---|
| InChI | InChI=1S/C30H48O6/c1-17-19(32)15-30(24(34)35)14-13-27(4)18(23(30)29(17,6)36)7-8-21-25(2)11-10-22(33)26(3,16-31)20(25)9-12-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19+,20-,21-,22+,23-,25+,26+,27-,28-,29-,30-/m1/s1 |
| InChIKey | RTCXNXLMBFLHEH-FVIGYUKTSA-N |
| Mol Weight | 504.7 g/mol |
| Molecular Formula | C30H48O6 |
| Exact Mass | 504.345089 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CDbAfT8caWD |
|---|---|
| Name | ILEXOLIC-ACID-A;3-BETA,19-ALPHA,21-BETA,23-TERAHYDROXYTARAXAST-12-EN-28-OIC-ACID |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H48O6 |
| InChI | InChI=1S/C30H48O6/c1-17-19(32)15-30(24(34)35)14-13-27(4)18(23(30)29(17,6)36)7-8-21-25(2)11-10-22(33)26(3,16-31)20(25)9-12-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19+,20-,21-,22+,23-,25+,26+,27-,28-,29-,30-/m1/s1 |
| InChIKey | RTCXNXLMBFLHEH-FVIGYUKTSA-N |
| Literature Reference Author | F.FULLAS,M.C.WANI,M.E.WALL,J.C.TUCKER,C.W.W.BEECHER,A.D.KING HORN |
| Literature Reference Citation | PHYTOCHEM.,43,1303(1996) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00422-0 |
| Molecular Weight | 504.708 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS2404 |