| SpectraBase Spectrum ID |
8R5RdCUJfLG |
| Name |
(1S,3ar,4S,5R,7as)-1-Ethyl-5-[(E)-2-(tri-N-butylstannyl)vinyl]-4-(2-pyrrolylcarbonyl)-2,3,3A,4,5,7A-hexahydro-1H-indene |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
559.283617201 u |
| Formula |
C30H49NOSn |
| InChI |
InChI=1S/C18H22NO.3C4H9.Sn/c1-3-12-7-10-15-14(12)9-8-13(4-2)17(15)18(20)16-6-5-11-19-16;3*1-3-4-2;/h2,4-6,8-9,11-15,17,19H,3,7,10H2,1H3;3*1,3-4H2,2H3;/t12-,13+,14+,15+,17+;;;;/m0..../s1 |
| InChIKey |
FGZHUBGTCDXTKZ-FKFOUQKMSA-N |
| Molecular Weight |
558.439 g/mol |
| SMILES |
[C@@]12([C@](C(C=3NC=CC3)=O)([C@](\C=C\[Sn](CCCC)(CCCC)CCCC)(C=C[C@@]1([C@@](CC)(CC2)[H])[H])[H])[H])[H] |
![(1S,3aR,4S,5R,7aS)-1-Ethyl-5-[(E)-2-(tri-n-butylstannyl)vinyl]-4-(2-pyrrolylcarbonyl)-2,3,3a,4,5,7a-hexahydro-1H-indene](/api/spectrum/8R5RdCUJfLG/structure.png?h=300&w=458 "(1S,3aR,4S,5R,7aS)-1-Ethyl-5-[(E)-2-(tri-n-butylstannyl)vinyl]-4-(2-pyrrolylcarbonyl)-2,3,3a,4,5,7a-hexahydro-1H-indene")
