| SpectraBase Compound ID | 5bh2X5jd7ll |
|---|---|
| InChI | InChI=1S/C31H50O4/c1-19-10-15-31(26(34)35-7)17-16-29(5)21(25(31)20(19)2)8-9-23-27(3)13-12-24(33)28(4,18-32)22(27)11-14-30(23,29)6/h8,19-20,22-25,32-33H,9-18H2,1-7H3/t19-,20+,22?,23-,24+,25+,27+,28-,29-,30-,31+/m1/s1 |
| InChIKey | NNDZXJBMKVWZKK-KARNCMBISA-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 | bmkQzqH90D |
|---|---|
| Name | Methyl 3.beta.,24-dihydroxy-urs-12-en-28-oate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H50O4 |
| InChI | InChI=1S/C31H50O4/c1-19-10-15-31(26(34)35-7)17-16-29(5)21(25(31)20(19)2)8-9-23-27(3)13-12-24(33)28(4,18-32)22(27)11-14-30(23,29)6/h8,19-20,22-25,32-33H,9-18H2,1-7H3/t19-,20+,22?,23-,24+,25+,27+,28-,29-,30-,31+/m1/s1 |
| InChIKey | NNDZXJBMKVWZKK-KARNCMBISA-N |
| Molecular Weight | 486.737 g/mol |
| SMILES | O[C@]1(CC[C@]2(C([C@]1(CO)C)CC[C@]1([C@]3(C(=CC[C@]21[H])[C@]1([C@@](CC3)(CC[C@]([C@@]1(C)[H])(C)[H])C(=O)OC)[H])C)C)C)[H] |
| SPLASH | splash10-0w29-0490000000-9e56b0d3e8900224db2c |
| Source of Spectrum | X2-50-72-8 |
| Synonyms | Methyl (3beta,4alpha,9alpha)-3,23-dihydroxyurs-12-en-28-oate |
| Wiley ID | 1602140 |