| SpectraBase Compound ID | 93cQhoKQFBJ |
|---|---|
| InChI | InChI=1S/C32H50O4/c1-20(33)36-25-12-13-30(7)23(28(25,4)5)11-14-31(8)24(30)10-9-21-22-19-27(2,3)15-16-29(22,6)17-18-32(21,31)26(34)35/h9,22-25H,10-19H2,1-8H3,(H,34,35)/t22-,23-,24+,25-,29+,30-,31+,32+/m0/s1 |
| InChIKey | IQYUEJTVDLHZDJ-HEWWSNOBSA-N |
| Mol Weight | 498.7 g/mol |
| Molecular Formula | C32H50O4 |
| Exact Mass | 498.37091 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3lGFcw6oFc |
|---|---|
| Name | Cornulacic acid acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H50O4 |
| InChI | InChI=1S/C32H50O4/c1-20(33)36-25-12-13-30(7)23(28(25,4)5)11-14-31(8)24(30)10-9-21-22-19-27(2,3)15-16-29(22,6)17-18-32(21,31)26(34)35/h9,22-25H,10-19H2,1-8H3,(H,34,35)/t22-,23-,24+,25-,29+,30-,31+,32+/m0/s1 |
| InChIKey | IQYUEJTVDLHZDJ-HEWWSNOBSA-N |
| Molecular Weight | 498.748 g/mol |
| SMILES | OC([C@@]12C([C@]3([C@@](CC2)(CCC(C)(C3)C)C)[H])=CC[C@@]2([C@]3(CC[C@](C([C@@]3(CC[C@@]12C)[H])(C)C)([H])OC(C)=O)C)[H])=O |
| SPLASH | splash10-0udm-5690200000-a0456cbad5aac8fe2514 |
| Source of Spectrum | Y1-44B-1090-1 |
| Synonyms | (4aR,6aR,6bR,8aR,10S,12aR,12bR,14bR)-10-acetoxy-2,2,4a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-6a-carboxylic acid |
| Wiley ID | 1744364 |