| SpectraBase Compound ID | 9TBgTkCU0Xp |
|---|---|
| InChI | InChI=1S/C31H50O5/c1-26(2)12-14-31(25(35)36-7)15-13-29(5)19(20(31)16-26)8-9-23-27(3)17-21(33)24(34)28(4,18-32)22(27)10-11-30(23,29)6/h8,20-24,32-34H,9-18H2,1-7H3/t20-,21+,22+,23+,24+,27-,28-,29+,30+,31-/m0/s1 |
| InChIKey | PQQIABJSQBQEFM-KHQXHOHWSA-N |
| Mol Weight | 502.7 g/mol |
| Molecular Formula | C31H50O5 |
| Exact Mass | 502.365825 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9TOY4o7RAX3 |
|---|---|
| Name | METHYL-2-ALPHA,3-ALPHA,23-TRIHYDROXY-OLEAN-12-EN-28-OATE |
| Compound Number | 66 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H50O5 |
| InChI | InChI=1S/C31H50O5/c1-26(2)12-14-31(25(35)36-7)15-13-29(5)19(20(31)16-26)8-9-23-27(3)17-21(33)24(34)28(4,18-32)22(27)10-11-30(23,29)6/h8,20-24,32-34H,9-18H2,1-7H3/t20-,21+,22+,23+,24+,27-,28-,29+,30+,31-/m0/s1 |
| InChIKey | PQQIABJSQBQEFM-KHQXHOHWSA-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 | 502.735 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS5166 |