| SpectraBase Compound ID | 9cCtoE6WRtk |
|---|---|
| InChI | InChI=1S/C30H48O3/c1-25(2)13-14-27(5)15-16-29(7)20(21(27)17-25)9-10-23-28(6,18-24(32)33)22(26(3,4)19-31)11-12-30(23,29)8/h9,19,21-23H,10-18H2,1-8H3,(H,32,33)/t21-,22-,23+,27+,28-,29+,30+/m0/s1 |
| InChIKey | BUXSYCWKLKUTID-CFYIDONUSA-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 | LVxkRz0ZP08 |
|---|---|
| Name | 2,3-seco-3-Oxoolean-12-en-2-oic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H48O3 |
| InChI | InChI=1S/C30H48O3/c1-25(2)13-14-27(5)15-16-29(7)20(21(27)17-25)9-10-23-28(6,18-24(32)33)22(26(3,4)19-31)11-12-30(23,29)8/h9,19,21-23H,10-18H2,1-8H3,(H,32,33)/t21-,22-,23+,27+,28-,29+,30+/m0/s1 |
| InChIKey | BUXSYCWKLKUTID-CFYIDONUSA-N |
| Molecular Weight | 456.711 g/mol |
| SMILES | OC(C[C@@]1([C@@]2([C@]([C@]3(C([C@@]4(CC(C)(C)CC[C@@]4(CC3)C)[H])=CC2)C)(CC[C@]1(C(C=O)(C)C)[H])C)[H])C)=O |
| SPLASH | splash10-014i-0090000000-a562e271aaa7dd60229f |
| Source of Spectrum | E2-51-90-2 |
| Synonyms | 2-[(1R,2R,4aR,4bS,6aR,10aR,12aR)-1,4a,4b,6a,9,9-hexamethyl-2-(2-methyl-1-oxopropan-2-yl)-3,4,5,6,7,8,10,10a,12,12a-decahydro-2H-chrysen-1-yl]acetic acid 2-[(1R,2R,4aR,4bS,6aR,10aR,12aR)-2-(1,1-dimethyl-2-oxo-ethyl)-1,4a,4b,6a,9,9-hexamethyl-3,4,5,6,7,8,10,10a,12,12a-decahydro-2H-chrysen-1-yl]acetic acid 2-[(1R,2R,4aR,4bS,6aR,10aR,12aR)-1,4a,4b,6a,9,9-hexamethyl-2-(2-methyl-1-oxidanylidene-propan-2-yl)-3,4,5,6,7,8,10,10a,12,12a-decahydro-2H-chrysen-1-yl]ethanoic acid |
| Wiley ID | 1556079 |