| SpectraBase Compound ID | 90ALNscbBGj |
|---|---|
| InChI | InChI=1S/C32H48O6/c1-18-10-13-32(27(36)37)15-14-30(6)21(25(32)19(18)2)8-9-24-28(4)16-22(34)26(35)29(5,17-38-20(3)33)23(28)11-12-31(24,30)7/h8,18,22-26,34-35H,2,9-17H2,1,3-7H3,(H,36,37)/t18-,22-,23?,24?,25?,26+,28+,29+,30-,31-,32+/m1/s1 |
| InChIKey | FAQRRKHUNJQELT-ABTATCFXSA-N |
| Mol Weight | 528.7 g/mol |
| Molecular Formula | C32H48O6 |
| Exact Mass | 528.345089 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FgSUIp2ORUf |
|---|---|
| Name | 2-ALPHA,3-BETA,23-TRIHYDROXY-URS-12,19(29)-DIEN-28-OIC-ACID-23-ACETYL-ESTER |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H48O6 |
| InChI | InChI=1S/C32H48O6/c1-18-10-13-32(27(36)37)15-14-30(6)21(25(32)19(18)2)8-9-24-28(4)16-22(34)26(35)29(5,17-38-20(3)33)23(28)11-12-31(24,30)7/h8,18,22-26,34-35H,2,9-17H2,1,3-7H3,(H,36,37)/t18-,22-,23?,24?,25?,26+,28+,29+,30-,31-,32+/m1/s1 |
| InChIKey | FAQRRKHUNJQELT-ABTATCFXSA-N |
| Literature Reference Author | N.D.TOMMASI,L.RASTRELLI,M.R.LAURO,R.AQUINO |
| Literature Reference Citation | PHYTOCHEM.,49,1123(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)01060-1 |
| Molecular Weight | 528.730 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU438 |