| SpectraBase Compound ID | 2cWV1vUeZPO |
|---|---|
| InChI | InChI=1S/C24H44O4/c1-18(17-21(25)26-7)9-10-19(2)23(5)13-8-12-22(3,4)20(23)11-14-24(6)27-15-16-28-24/h18-20H,8-17H2,1-7H3/t18-,19+,20-,23+/m0/s1 |
| InChIKey | BIKTZIDIMNBLOG-FAKFISEUSA-N |
| Mol Weight | 396.6 g/mol |
| Molecular Formula | C24H44O4 |
| Exact Mass | 396.32396 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GpbEey9t6ab |
|---|---|
| Name | Methyl 9(S)-8,8-ethylendioxy-9-methyl-8,9-seco-labdan-15-oate |
| CAS Registry Number | 108944-95-2 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H44O4 |
| InChI | InChI=1S/C24H44O4/c1-18(17-21(25)26-7)9-10-19(2)23(5)13-8-12-22(3,4)20(23)11-14-24(6)27-15-16-28-24/h18-20H,8-17H2,1-7H3/t18-,19+,20-,23+/m0/s1 |
| InChIKey | BIKTZIDIMNBLOG-FAKFISEUSA-N |
| Molecular Weight | 396.612 g/mol |
| SMILES | [C@@]1([C@](C(C)(C)CCC1)(CCC1(OCCO1)C)[H])([C@@](CC[C@@](CC(=O)OC)(C)[H])(C)[H])C |
| SPLASH | splash10-000i-9502000000-7cdecdc95361263d21d4 |
| Source of Spectrum | F-42-4570-7 |
| Synonyms | Methyl (3S,6R)-3-methyl-6-{(1R,2S)-1,3,3-trimethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclohexyl}heptanoate Methyl (3s,6s,1'R,2's)-3,6-dimethyl-6-(1,3,3-trimethyl-2-(3,3-ethylenedioxy-butyl)-1-cyclohexyl)-hexanoate Methyl (3S,6R,1'R,2'S)-3,6-dimethyl-6-(1,3,3-trimethyl-2-(3,3-ethylenedioxy-butyl)cyclohexyl)-hexanoate Methyl 3(s),6(S),1'(r),2'(s)-3,6-dimethyl-6-[1,3,3-trimethyl-2-(3,3-ethylendioxy-butyl)-1-cyclohexyl]-hexanoate Methyl 3(S),6(R),1'(R),2'(S)-3,6-dimethyl-6-[1,3,3-trimethyl-2-(3,3-ethylen-1-2(3,3ethylen-dioxy-butyl)-1-cyclohexyl]-hexanoate |
| Wiley ID | 1367625 |