| SpectraBase Compound ID | GkbSxuhVjay |
|---|---|
| InChI | InChI=1S/C30H50O3/c1-17-9-11-27(5)13-14-28(6)19(24(27)18(17)2)15-20(31)25-29(28,7)12-10-21-26(3,4)22(32)16-23(33)30(21,25)8/h15,17-18,20-25,31-33H,9-14,16H2,1-8H3/t17-,18+,20-,21?,22-,23-,24+,25+,27-,28-,29-,30-/m1/s1 |
| InChIKey | DGPSWRZULAAATP-SYXSKMIQSA-N |
| Mol Weight | 458.7 g/mol |
| Molecular Formula | C30H50O3 |
| Exact Mass | 458.375995 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DqKP7YS0DZL |
|---|---|
| Name | 1.beta.,3.alpha.,11.alpha.-Trihydroxy-urs-12-ene |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H50O3 |
| InChI | InChI=1S/C30H50O3/c1-17-9-11-27(5)13-14-28(6)19(24(27)18(17)2)15-20(31)25-29(28,7)12-10-21-26(3,4)22(32)16-23(33)30(21,25)8/h15,17-18,20-25,31-33H,9-14,16H2,1-8H3/t17-,18+,20-,21?,22-,23-,24+,25+,27-,28-,29-,30-/m1/s1 |
| InChIKey | DGPSWRZULAAATP-SYXSKMIQSA-N |
| Molecular Weight | 458.727 g/mol |
| SMILES | O[C@@]1(C=C2[C@]3([C@@](CC[C@]2([C@]2([C@]1([C@]1([C@@](C[C@](C(C1CC2)(C)C)(O)[H])(O)[H])C)[H])C)C)(CC[C@]([C@@]3(C)[H])(C)[H])C)[H])[H] |
| SPLASH | splash10-052p-2950600000-872dbb3d21bbe20dbf84 |
| Source of Spectrum | G4-62-1608-6 |
| Synonyms | (1beta,3alpha,9alpha,11alpha)-urs-12-ene-1,3,11-triol |
| Wiley ID | 1608157 |