| SpectraBase Compound ID | 6to6JLdu5nV |
|---|---|
| InChI | InChI=1S/C31H50O5/c1-18-10-13-31(26(35)36-7)15-14-29(5)20(24(31)19(18)2)8-9-23-27(3)16-21(33)25(34)28(4,17-32)22(27)11-12-30(23,29)6/h8,18-19,21-25,32-34H,9-17H2,1-7H3/t18-,19+,21-,22-,23-,24+,25+,27+,28+,29-,30-,31+/m1/s1 |
| InChIKey | PTVQHIGQUFDPIQ-DKNVWTRZSA-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 | 3eDeQRMX1dz |
|---|---|
| Name | METHYL-ASIATATE;METHYL-2-ALPHA,3-BETA,23-TRIHYDROXY-URS-12-EN-28-OATE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H50O5 |
| InChI | InChI=1S/C31H50O5/c1-18-10-13-31(26(35)36-7)15-14-29(5)20(24(31)19(18)2)8-9-23-27(3)16-21(33)25(34)28(4,17-32)22(27)11-12-30(23,29)6/h8,18-19,21-25,32-34H,9-17H2,1-7H3/t18-,19+,21-,22-,23-,24+,25+,27+,28+,29-,30-,31+/m1/s1 |
| InChIKey | PTVQHIGQUFDPIQ-DKNVWTRZSA-N |
| Literature Reference Author | Y.DING,J.KINJO,C.R.YANG,T.NOHARA |
| Literature Reference Citation | PHYTOCHEM.,30,3703(1991) |
| Literature Reference DOI | 10.1016/0031-9422(91)80094-H |
| Molecular Weight | 502.735 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS27210 |