| SpectraBase Spectrum ID |
AaVPcJusM3N |
| Name |
(2aR,4aR,7aR,7bS)-3,7b-Dimethyl-2a,4a,5,6,7a,7b-hexahydro-1H-cyclobuta[e]indene-2,7-dione |
| Alternate Name(s) |
(E)-(1SR,2SR,5SR,7RS,8SR)-3-(4'-Methoxycarbonylbutylidene)-7-tert-Butyldimethylsilyloxy-8-cyanobicyclo[3.3.0]octan-2-ol
methyl (5E)-5-((1S,3aS,5R,6S,6aS)-5-{[tert-butyl(dimethyl)silyl]oxy}-6-cyano-1-hydroxyhexahydro-2(1H)-pentalenylidene)pentanoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H35NO4Si |
| InChI |
InChI=1S/C21H35NO4Si/c1-21(2,3)27(5,6)26-17-12-15-11-14(9-7-8-10-18(23)25-4)20(24)19(15)16(17)13-22/h9,15-17,19-20,24H,7-8,10-12H2,1-6H3/b14-9+/t15-,16-,17+,19-,20+/m0/s1 |
| InChIKey |
DVESSVVACANXBZ-XEZOALOISA-N |
| Molecular Weight |
393.599 g/mol |
| SMILES |
O[C@@]1(\C(=C\CCCC(=O)OC)C[C@@]2([C@]1([C@]([C@](O[Si](C(C)(C)C)(C)C)(C2)[H])(C#N)[H])[H])[H])[H] |
| SPLASH |
splash10-004i-9001000000-36bed0bd3d0220f5d44e |
| Source of Spectrum |
KC-0-2676-15 |
| Wiley ID |
826098 |
![(2aR,4aR,7aR,7bS)-3,7b-Dimethyl-2a,4a,5,6,7a,7b-hexahydro-1H-cyclobuta[e]indene-2,7-dione](/api/spectrum/AaVPcJusM3N/structure.png?h=300&w=458 "(2aR,4aR,7aR,7bS)-3,7b-Dimethyl-2a,4a,5,6,7a,7b-hexahydro-1H-cyclobuta[e]indene-2,7-dione")
