| SpectraBase Spectrum ID |
6QCJnpzmCUa |
| Name |
7H-Benz[E]inden-7-one, 3-acetyl-6-(2-butynyl)dodecahydro-3A,6-dimethyl-, [3S-(3.alpha.,3A.alpha.,5A.beta.,6.beta.,9A.alpha.,9B.beta.)]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.224580204 u |
| Formula |
C21H30O2 |
| InChI |
InChI=1S/C21H30O2/c1-5-6-12-21(4)18-11-13-20(3)16(14(2)22)8-9-17(20)15(18)7-10-19(21)23/h15-18H,7-13H2,1-4H3/t15-,16+,17-,18-,20+,21+/m0/s1 |
| InChIKey |
PDPCXZARYTZUKU-ZTEVBBAKSA-N |
| Molecular Weight |
314.469 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CCC([C@@]([C@]3(CC2)[H])(CC#CC)C)=O)[H])(CC[C@@]1(C(=O)C)[H])[H])C |
![7H-Benz[e]inden-7-one, 3-acetyl-6-(2-butynyl)dodecahydro-3a,6-dimethyl-, [3S-(3.alpha.,3a.alpha.,5a.beta.,6.beta.,9a.alpha.,9b.beta.)]-](/api/spectrum/6QCJnpzmCUa/structure.png?h=300&w=458 "7H-Benz[e]inden-7-one, 3-acetyl-6-(2-butynyl)dodecahydro-3a,6-dimethyl-, [3S-(3.alpha.,3a.alpha.,5a.beta.,6.beta.,9a.alpha.,9b.beta.)]-")
