| SpectraBase Spectrum ID |
BttMxe4FRYH |
| Name |
(3S,3ar,4S,9as,9br)-3,6,9-Trimethyl-2,7-dioxo-2,3,3A,4,5,7,9A,9B-octahydroazuleno[4,5-B]furan-4-yl 3-methylpentanoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
360.193673997 u |
| Formula |
C21H28O5 |
| InChI |
InChI=1S/C21H28O5/c1-6-10(2)7-16(23)25-15-9-12(4)17-14(22)8-11(3)18(17)20-19(15)13(5)21(24)26-20/h8,10,13,15,18-20H,6-7,9H2,1-5H3/t10?,13-,15-,18-,19+,20+/m0/s1 |
| InChIKey |
ORMBLHPYRURPCO-IJVPWRDKSA-N |
| Molecular Weight |
360.450 g/mol |
| SMILES |
[C@]12([H])[C@]3([H])C(=C(C)C[C@@]([C@@]2([H])[C@](C)(C(=O)O1)[H])(OC(=O)CC(CC)C)[H])C(=O)C=C3C |
![(3S,3ar,4S,9as,9br)-3,6,9-Trimethyl-2,7-dioxo-2,3,3A,4,5,7,9A,9B-octahydroazuleno[4,5-B]furan-4-yl 3-methylpentanoate](/api/spectrum/BttMxe4FRYH/structure.png?h=300&w=458 "(3S,3ar,4S,9as,9br)-3,6,9-Trimethyl-2,7-dioxo-2,3,3A,4,5,7,9A,9B-octahydroazuleno[4,5-B]furan-4-yl 3-methylpentanoate")
