| SpectraBase Spectrum ID |
8tC9hGs4Z3j |
| Name |
(1sr,4E,8E,12Sr,15SR)-15-acetoxy-1,5,9-trimethyl-14-oxobicyclo[10.2.2]hexadeca-4,8-diene-5-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.235144887 u |
| Formula |
C21H32O3 |
| InChI |
InChI=1S/C21H32O3/c1-15-7-5-8-16(2)10-11-18-13-20(24-17(3)22)21(4,12-6-9-15)14-19(18)23/h8-9,18,20H,5-7,10-14H2,1-4H3/b15-9+,16-8+/t18-,20-,21-/m0/s1 |
| InChIKey |
NCTPCONYIYTWHO-AUXIPXMPSA-N |
| Molecular Weight |
332.484 g/mol |
| SMILES |
[C@@]12([C@](C[C@@](C(C2)=O)(CC\C(C)=C\CC\C(=C\CC1)C)[H])(OC(=O)C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967029 |
![(1sr,4E,8E,12Sr,15SR)-15-acetoxy-1,5,9-trimethyl-14-oxobicyclo[10.2.2]hexadeca-4,8-diene-5-one](/api/spectrum/8tC9hGs4Z3j/structure.png?h=300&w=458 "(1sr,4E,8E,12Sr,15SR)-15-acetoxy-1,5,9-trimethyl-14-oxobicyclo[10.2.2]hexadeca-4,8-diene-5-one")
