| SpectraBase Spectrum ID |
JfolnMcJMpg |
| Name |
1-((1S,5as,8R,10As,12AS)-8-hydroxy-10A,12A-dimethyl-octadecahydro-cyclohepta[A]cyclopenta[F]naphthalen-1-yl)-ethanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.271530397 u |
| Formula |
C22H36O2 |
| InChI |
InChI=1S/C22H36O2/c1-14(23)18-8-9-19-17-7-5-15-4-6-16(24)10-12-21(15,2)20(17)11-13-22(18,19)3/h15-20,24H,4-13H2,1-3H3/t15-,16-,17?,18-,19?,20?,21+,22-/m1/s1 |
| InChIKey |
KVFBEKSKNXEUOG-UQBMSRLJSA-N |
| Molecular Weight |
332.528 g/mol |
| SMILES |
[C@]12(C(C3C([C@]4(CC[C@](O)(CC[C@]4([H])CC3)[H])C)CC1)CC[C@@]2(C(=O)C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969434 |
![1-((1S,5aS,8R,10aS,12aS)-8-Hydroxy-10a,12a-dimethyl-octadecahydro-cyclohepta[a]cyclopenta[f]naphthalen-1-yl)-ethanone](/api/spectrum/JfolnMcJMpg/structure.png?h=300&w=458 "1-((1S,5aS,8R,10aS,12aS)-8-Hydroxy-10a,12a-dimethyl-octadecahydro-cyclohepta[a]cyclopenta[f]naphthalen-1-yl)-ethanone")
