![(2R,3aS-)4-Hydroxy-7-[((1S,2R)2'-hydroxy-5'-isopropenyl-2'-methylcyclopentyl)methyl]-2-(1"-hydroxy-1"-methylethyl)-3a-methyl-5-(2-methylbutyryl)-3,3a-dihydro-2H-benzofuran-6-one](/api/spectrum/JIeRqvq0FD5/structure.png?h=300&w=458 "(2R,3aS-)4-Hydroxy-7-[((1S,2R)2'-hydroxy-5'-isopropenyl-2'-methylcyclopentyl)methyl]-2-(1\"-hydroxy-1\"-methylethyl)-3a-methyl-5-(2-methylbutyryl)-3,3a-dihydro-2H-benzofuran-6-one")
| SpectraBase Compound ID | LmZLBQcHqiE |
|---|---|
| InChI | InChI=1S/C27H40O6/c1-9-15(4)21(28)20-22(29)17(12-18-16(14(2)3)10-11-27(18,8)32)24-26(7,23(20)30)13-19(33-24)25(5,6)31/h15-16,18-19,29,31-32H,2,9-13H2,1,3-8H3/t15?,16?,18-,19+,26-,27+/m0/s1 |
| InChIKey | KMJCWFAYJOKUHH-DTNLBGHLSA-N |
| Mol Weight | 460.6 g/mol |
| Molecular Formula | C27H40O6 |
| Exact Mass | 460.282489 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JIeRqvq0FD5 |
|---|---|
| Name | (2R,3aS-)4-Hydroxy-7-[((1S,2R)2'-hydroxy-5'-isopropenyl-2'-methylcyclopentyl)methyl]-2-(1"-hydroxy-1"-methylethyl)-3a-methyl-5-(2-methylbutyryl)-3,3a-dihydro-2H-benzofuran-6-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H40O6 |
| InChI | InChI=1S/C27H40O6/c1-9-15(4)21(28)20-22(29)17(12-18-16(14(2)3)10-11-27(18,8)32)24-26(7,23(20)30)13-19(33-24)25(5,6)31/h15-16,18-19,29,31-32H,2,9-13H2,1,3-8H3/t15?,16?,18-,19+,26-,27+/m0/s1 |
| InChIKey | KMJCWFAYJOKUHH-DTNLBGHLSA-N |
| Molecular Weight | 460.611 g/mol |
| SMILES | OC([C@@]1(OC2=C(C(=C(C([C@@]2(C1)C)=O)C(=O)C(CC)C)O)C[C@]1(C(C(=C)C)CC[C@]1(O)C)[H])[H])(C)C |
| SPLASH | splash10-00fr-0904500000-b6f9bbe905a1f14451af |
| Source of Spectrum | G4-71-1030-1/1a |
| Synonyms | Hyperielliptone HA |
| Wiley ID | 1694991 |