| SpectraBase Compound ID | 5ypExJOw5Ne |
|---|---|
| InChI | InChI=1S/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18,21-24,31H,2,9-17H2,1,3-7H3,(H,32,33)/t18-,21?,22?,23+,24+,27+,28-,29-,30+/m1/s1 |
| InChIKey | VPMTUSRUIJFRMW-KKEZESATSA-N |
| Mol Weight | 454.7 g/mol |
| Molecular Formula | C30H46O3 |
| Exact Mass | 454.344695 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4LaIiAgVNld |
|---|---|
| Name | 3-BETA-HYDROXY-URS-12,19-(29)-DIEN-28-OIC-ACID |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H46O3 |
| InChI | InChI=1S/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18,21-24,31H,2,9-17H2,1,3-7H3,(H,32,33)/t18-,21?,22?,23+,24+,27+,28-,29-,30+/m1/s1 |
| InChIKey | VPMTUSRUIJFRMW-KKEZESATSA-N |
| Literature Reference Author | J.Z.DENG,S.R.STARCK,S.M.HECHT |
| Literature Reference Citation | J.NAT.PROD.,62,1624(1999) |
| Literature Reference DOI | 10.1021/np990240w |
| Molecular Weight | 454.693 g/mol |
| Solvent | CDCl3:CD3OD |
| Source File Reference | UWRU498 |