| SpectraBase Spectrum ID |
GEroMDwHXY2 |
| Name |
(4R,4ar,6as,7S,11As,11BR)-4-(methoxymethoxy)-4A,7,11A-trimethyl-tetradecahydro-8H-cyclohepta[A]naphthalen-8-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/c1-14-15-10-12-20(3)17(8-5-9-18(20)23-13-22-4)19(15,2)11-6-7-16(14)21/h14-15,17-18H,5-13H2,1-4H3/t14-,15-,17+,18+,19-,20+/m0/s1 |
| InChIKey |
NHTRRSYGWJPSLO-RJDOWDFHSA-N |
| Molecular Weight |
322.489 g/mol |
| SMILES |
[C@@]12([C@]([C@@](C(=O)CCC2)(C)[H])(CC[C@@]2([C@@]1(CCC[C@]2(OCOC)[H])[H])C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.884248 |
![(4R,4aR,6aS,7S,11aS,11bR)-4-(Methoxymethoxy)-4a,7,11a-trimethyl-tetradecahydro-8H-cyclohepta[a]naphthalen-8-one](/api/spectrum/GEroMDwHXY2/structure.png?h=300&w=458 "(4R,4aR,6aS,7S,11aS,11bR)-4-(Methoxymethoxy)-4a,7,11a-trimethyl-tetradecahydro-8H-cyclohepta[a]naphthalen-8-one")
