| SpectraBase Spectrum ID |
KSfzfUcH3Vh |
| Name |
(4R,4ar,6as,7R,11As,11BR)-4-(methoxymethoxy)-4A,7,11A-trimethyl-tetradecahydro-9H-cyclohepta[A]naphthalen-9-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.250794952 u |
| Formula |
C20H34O3 |
| InChI |
InChI=1S/C20H34O3/c1-14-12-15(21)8-10-19(2)16(14)9-11-20(3)17(19)6-5-7-18(20)23-13-22-4/h14,16-18H,5-13H2,1-4H3/t14-,16+,17-,18-,19+,20-/m1/s1 |
| InChIKey |
VLGBAPKJKKKLTH-ZIDVSRPDSA-N |
| Molecular Weight |
322.489 g/mol |
| SMILES |
[C@]12([C@@]3([C@@]([C@](OCOC)(CCC3)[H])(C)CC[C@]1([C@@](CC(CC2)=O)(C)[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971013 |
![(4R,4aR,6aS,7R,11aS,11bR)-4-(Methoxymethoxy)-4a,7,11a-trimethyl-tetradecahydro-9H-cyclohepta[a]naphthalen-9-one](/api/spectrum/KSfzfUcH3Vh/structure.png?h=300&w=458 "(4R,4aR,6aS,7R,11aS,11bR)-4-(Methoxymethoxy)-4a,7,11a-trimethyl-tetradecahydro-9H-cyclohepta[a]naphthalen-9-one")
