| SpectraBase Compound ID | 48PaxWQil9h |
|---|---|
| InChI | InChI=1S/C30H48O4/c1-25(2)14-15-30(24(33)34)19(16-25)18-8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,6)29(18,7)17-23(30)32/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21+,22-,23+,27-,28+,29+,30+/m0/s1 |
| InChIKey | YKOPWPOFWMYZJZ-PRIAQAIDSA-N |
| Mol Weight | 472.7 g/mol |
| Molecular Formula | C30H48O4 |
| Exact Mass | 472.35526 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1VhRKOkAy4f |
|---|---|
| Name | Echinocystic Acid |
| Alternate Name(s) | (3beta,16alpha)-3,16-dihydroxyolean-12-en-28-oic acid (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-5,10-bis(oxidanyl)-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H48O4 |
| InChI | InChI=1S/C30H48O4/c1-25(2)14-15-30(24(33)34)19(16-25)18-8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,6)29(18,7)17-23(30)32/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21+,22-,23+,27-,28+,29+,30+/m0/s1 |
| InChIKey | YKOPWPOFWMYZJZ-PRIAQAIDSA-N |
| Molecular Weight | 472.710 g/mol |
| SMILES | O[C@]1([C@]2(C(=O)O)[C@](C3=CC[C@]4([C@]([C@@]3(C1)C)(CC[C@@]1([C@@]4(CC[C@@](C1(C)C)(O)[H])C)[H])C)[H])(CC(CC2)(C)C)[H])[H] |
| SPLASH | splash10-01ot-0090100000-39f9a17b90d2bd1c1e57 |
| Source of Spectrum | X4-25-319-0 |
| Wiley ID | 1586258 |