| SpectraBase Compound ID | GFRPwJgwM3P |
|---|---|
| InChI | InChI=1S/C31H50O4/c1-19-11-16-31(25(33)35-8)18-17-28(5)20(24(31)30(19,7)34)9-10-22-27(4)14-13-23(32)26(2,3)21(27)12-15-29(22,28)6/h9,19,21-24,32,34H,10-18H2,1-8H3/t19-,21?,22-,23-,24-,27+,28-,29-,30-,31+/m1/s1 |
| InChIKey | KVKFKYPXEAKDHI-VMZWEHSRSA-N |
| Mol Weight | 486.7 g/mol |
| Molecular Formula | C31H50O4 |
| Exact Mass | 486.37091 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | E8Ax5BIPas6 |
|---|---|
| Name | Methyl 3.alpha.,19.alpha.-Dihydroxy-ursa-12-en-28-oate |
| Alternate Name(s) | Methyl ester of 3-epi-pomolic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H50O4 |
| InChI | InChI=1S/C31H50O4/c1-19-11-16-31(25(33)35-8)18-17-28(5)20(24(31)30(19,7)34)9-10-22-27(4)14-13-23(32)26(2,3)21(27)12-15-29(22,28)6/h9,19,21-24,32,34H,10-18H2,1-8H3/t19-,21?,22-,23-,24-,27+,28-,29-,30-,31+/m1/s1 |
| InChIKey | KVKFKYPXEAKDHI-VMZWEHSRSA-N |
| Molecular Weight | 486.737 g/mol |
| SMILES | O[C@@]1(CC[C@]2(C(CC[C@]3([C@]4(C([C@@]5([C@@]([C@@](CC[C@@]5(CC4)C(=O)OC)(C)[H])(O)C)[H])=CC[C@]23[H])C)C)C1(C)C)C)[H] |
| SPLASH | splash10-0fbc-0942200000-61ee1bbf92c825fbcdc1 |
| Source of Spectrum | G4-69-1094-4 |
| Wiley ID | 1694439 |