| SpectraBase Compound ID | H7DsGtExZca |
|---|---|
| InChI | InChI=1S/C21H32O6/c1-13-16(27-14(2)22)12-21(4)15(19(24)26-6)8-7-9-17(21)20(13,3)11-10-18(23)25-5/h8,13,16-17H,7,9-12H2,1-6H3/t13-,16-,17-,20+,21+/m0/s1 |
| InChIKey | BRPLPGDXTHMNKH-AZFZUWSMSA-N |
| Mol Weight | 380.5 g/mol |
| Molecular Formula | C21H32O6 |
| Exact Mass | 380.219889 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Gdmuhu0Rag5 |
|---|---|
| Name | Dimethyl (+)-7.beta.-Acetoxy-14,15,16-trinor-3-clerodene-13,18-dioate |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H32O6 |
| InChI | InChI=1S/C21H32O6/c1-13-16(27-14(2)22)12-21(4)15(19(24)26-6)8-7-9-17(21)20(13,3)11-10-18(23)25-5/h8,13,16-17H,7,9-12H2,1-6H3/t13-,16-,17-,20+,21+/m0/s1 |
| InChIKey | BRPLPGDXTHMNKH-AZFZUWSMSA-N |
| Molecular Weight | 380.481 g/mol |
| SMILES | [C@]12(C(C(=O)OC)=CCC[C@]1([C@@](CCC(=O)OC)(C)[C@]([C@](C2)(OC(=O)C)[H])(C)[H])[H])C |
| SPLASH | splash10-0080-0191000000-1981857250a94075828a |
| Source of Spectrum | E1-42-1206-7 |
| Synonyms | (4aS,5S,6R,7S,8aS)-7-acetyloxy-5-(3-methoxy-3-oxopropyl)-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid methyl ester Methyl (4aS,5S,6R,7S,8aS)-7-acetyloxy-5-(3-methoxy-3-oxopropyl)-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate Methyl (4aS,5S,6R,7S,8aS)-7-acetoxy-5-(3-methoxy-3-oxo-propyl)-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate Methyl (4aS,5S,6R,7S,8aS)-7-acetyloxy-5-(3-methoxy-3-oxidanylidene-propyl)-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate |
| Wiley ID | 1552679 |