| SpectraBase Compound ID | LmWNseoFZRQ |
|---|---|
| InChI | InChI=1S/C31H50O3/c1-19-11-14-31(25(32)33)18-16-28(6)21(24(31)20(19)2)9-10-23-27(5)15-17-30(8,34)26(3,4)22(27)12-13-29(23,28)7/h9,19-20,22-24,34H,10-18H2,1-8H3,(H,32,33)/p-1/t19-,20+,22+,23-,24+,27+,28-,29-,30+,31+/m1/s1 |
| InChIKey | PHZVIJZRBWZMIA-DFYNBMQVSA-M |
| Mol Weight | 469.7 g/mol |
| Molecular Formula | C31H49O3 |
| Exact Mass | 469.36817 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2Rs1ebTJjc |
|---|---|
| Name | Methylursolate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H49O3 |
| InChI | InChI=1S/C31H50O3/c1-19-11-14-31(25(32)33)18-16-28(6)21(24(31)20(19)2)9-10-23-27(5)15-17-30(8,34)26(3,4)22(27)12-13-29(23,28)7/h9,19-20,22-24,34H,10-18H2,1-8H3,(H,32,33)/p-1/t19-,20+,22+,23-,24+,27+,28-,29-,30+,31+/m1/s1 |
| InChIKey | PHZVIJZRBWZMIA-DFYNBMQVSA-M |
| Molecular Weight | 469.730 g/mol |
| SMILES | O[C@@]1(C([C@@]2(CC[C@]3([C@@]4(CC[C@]5(C(=O)[O-])[C@](C4=CC[C@@]3([C@]2(CC1)C)[H])([C@]([C@@](CC5)(C)[H])(C)[H])[H])C)C)[H])(C)C)C |
| SPLASH | splash10-0il0-0390000000-5a2039fd5e70a3a80626 |
| Source of Spectrum | QA-33-333-9 |
| Synonyms | (1S,2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-hydroxy-1,2,6a,6b,9,9,10,12a-octamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylate |
| Wiley ID | 1794956 |