| SpectraBase Compound ID | BqRmKOAt4ZX |
|---|---|
| InChI | InChI=1S/C30H48O3/c1-19-11-13-27(5)15-16-29(7)21(25(27)20(19)2)9-10-23-28(6,17-24(32)33)22(26(3,4)18-31)12-14-30(23,29)8/h9,18-20,22-23,25H,10-17H2,1-8H3,(H,32,33)/t19-,20+,22+,23-,25+,27-,28+,29-,30-/m1/s1 |
| InChIKey | CNGWRHCWQIHNMP-IPQOMUISSA-N |
| Mol Weight | 456.7 g/mol |
| Molecular Formula | C30H48O3 |
| Exact Mass | 456.360345 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Gol5oTdBj2o |
|---|---|
| Name | 2-[(1R,2R,4aR,4bS,6aR,9R,10S,10aR,12aR)-1,4a,4b,6a,9,10-hexamethyl-2-(2-methyl-1-oxidanylidene-propan-2-yl)-2,3,4,5,6,7,8,9,10,10a,12,12a-dodecahydrochrysen-1-yl]ethanoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H48O3 |
| InChI | InChI=1S/C30H48O3/c1-19-11-13-27(5)15-16-29(7)21(25(27)20(19)2)9-10-23-28(6,17-24(32)33)22(26(3,4)18-31)12-14-30(23,29)8/h9,18-20,22-23,25H,10-17H2,1-8H3,(H,32,33)/t19-,20+,22+,23-,25+,27-,28+,29-,30-/m1/s1 |
| InChIKey | CNGWRHCWQIHNMP-IPQOMUISSA-N |
| Molecular Weight | 456.711 g/mol |
| SMILES | OC(C[C@@]1([C@]2(CC=C3[C@]([C@@]2(CC[C@]1(C(C=O)(C)C)[H])C)(CC[C@@]1([C@]3([C@]([C@@](CC1)(C)[H])(C)[H])[H])C)C)[H])C)=O |
| SPLASH | splash10-014i-0190000000-33c43d7911708465fb74 |
| Source of Spectrum | E2-51-90-1 |
| Synonyms | 2-[(1R,2R,4aR,4bS,6aR,9R,10S,10aR,12aR)-1,4a,4b,6a,9,10-hexamethyl-2-(2-methyl-1-oxopropan-2-yl)-2,3,4,5,6,7,8,9,10,10a,12,12a-dodecahydrochrysen-1-yl]acetic acid 2-[(1R,2R,4aR,4bS,6aR,9R,10S,10aR,12aR)-2-(1,1-dimethyl-2-oxo-ethyl)-1,4a,4b,6a,9,10-hexamethyl-2,3,4,5,6,7,8,9,10,10a,12,12a-dodecahydrochrysen-1-yl]acetic acid 2-[(1R,2R,4aR,4bS,6aR,9R,10S,10aR,12aR)-2-(2-keto-1,1-dimethyl-ethyl)-1,4a,4b,6a,9,10-hexamethyl-2,3,4,5,6,7,8,9,10,10a,12,12a-dodecahydrochrysen-1-yl]acetic acid |
| Wiley ID | 1556080 |