| SpectraBase Spectrum ID |
3OZRsLHoCRR |
| Name |
(E)-5-[(1S,8as)-5,5,8A-Trimethyl-2-methylidene-3,4,4A,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-(hydroxymethyl)-2-oxopent-3-enoic acid, 2me derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.245709571 u |
| Formula |
C22H34O4 |
| InChI |
InChI=1S/C22H34O4/c1-15-8-11-18-21(2,3)12-7-13-22(18,4)17(15)10-9-16(14-25-5)19(23)20(24)26-6/h9,17-18H,1,7-8,10-14H2,2-6H3/b16-9+/t17-,18?,22+/m0/s1 |
| InChIKey |
DEXSEUNHJJXWDD-JDKDPVNKSA-N |
| Molecular Weight |
362.510 g/mol |
| SMILES |
C1CC(C2CCC([C@@]([C@]2(C1)C)(C\C=C\(C(C(OC)=O)=O)COC)[H])=C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.813851 |
![(E)-5-[(1S,8as)-5,5,8A-Trimethyl-2-methylidene-3,4,4A,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-(hydroxymethyl)-2-oxopent-3-enoic acid, 2me derivative](/api/spectrum/3OZRsLHoCRR/structure.png?h=300&w=458 "(E)-5-[(1S,8as)-5,5,8A-Trimethyl-2-methylidene-3,4,4A,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-(hydroxymethyl)-2-oxopent-3-enoic acid, 2me derivative")
