| SpectraBase Compound ID | 90dMNuB7Yxq |
|---|---|
| InChI | InChI=1S/C31H48O8/c1-17-9-12-30(24(35)36)14-13-27(3)18(22(30)29(17,5)38)7-8-20-26(2)15-19(33)23(34)31(16-32,25(37)39-6)21(26)10-11-28(20,27)4/h7,17,19-23,32-34,38H,8-16H2,1-6H3,(H,35,36)/t17-,19-,20?,21?,22?,23-,26-,27-,28-,29-,30+,31-/m1/s1 |
| InChIKey | BTYSIQSXOQYINX-NDCXWVGTSA-N |
| Mol Weight | 548.7 g/mol |
| Molecular Formula | C31H48O8 |
| Exact Mass | 548.334918 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Hio5WMXpQNR |
|---|---|
| Name | 2-ALPHA,3-BETA,19-ALPHA,23-TETRAHYDROXY-URS-12-ENE-24,28-DIOIC-ACID |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H48O8 |
| InChI | InChI=1S/C31H48O8/c1-17-9-12-30(24(35)36)14-13-27(3)18(22(30)29(17,5)38)7-8-20-26(2)15-19(33)23(34)31(16-32,25(37)39-6)21(26)10-11-28(20,27)4/h7,17,19-23,32-34,38H,8-16H2,1-6H3,(H,35,36)/t17-,19-,20?,21?,22?,23-,26-,27-,28-,29-,30+,31-/m1/s1 |
| InChIKey | BTYSIQSXOQYINX-NDCXWVGTSA-N |
| Literature Reference Author | B.G.WANG,W.M.ZHU,X.M.LI,Z.J.JIA,X.J.HAO |
| Literature Reference Citation | J.NAT.PROD.,63,851(2000) |
| Literature Reference DOI | 10.1021/np990473n |
| Molecular Weight | 548.717 g/mol |
| Solvent | CD3OD |