| SpectraBase Compound ID | FvQqaPGvNlJ |
|---|---|
| InChI | InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23?,26-,27-,28+,29-,30+/m1/s1 |
| InChIKey | JFACETXYABVHFD-RKHSXEAASA-N |
| Mol Weight | 464.6 g/mol |
| Molecular Formula | C30H40O4 |
| Exact Mass | 464.29266 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GEti4EbZKbz |
|---|---|
| Name | Pristimerine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H40O4 |
| InChI | InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23?,26-,27-,28+,29-,30+/m1/s1 |
| InChIKey | JFACETXYABVHFD-RKHSXEAASA-N |
| Molecular Weight | 464.646 g/mol |
| SMILES | OC=1C(C=C2[C@]3(C([C@]4(CC[C@@]5(C([C@@]4(CC3)C)C[C@@](C(=O)OC)(C)CC5)C)C)=CC=C2C1C)C)=O |
| SPLASH | splash10-0w2c-0090500000-a02ffdcdf04a4e8d1602 |
| Source of Spectrum | G4-62-751-2 |
| Synonyms | (2R,4aS,6aR,6aS,14aS)-10-hydroxy-11-keto-2,4a,6a,6a,9,14a-hexamethyl-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid methyl ester (2R,4aS,6aR,6aS,14aS)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid methyl ester Methyl (2R,4aS,6aR,6aS,14aS)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate Methyl (2R,4aS,6aR,6aS,14aS)-2,4a,6a,6a,9,14a-hexamethyl-10-oxidanyl-11-oxidanylidene-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate |
| Wiley ID | 1607903 |