SpectraBase Spectrum ID |
1HLYqSxFiSj |
Name |
(+)-1,5-dibromo-2,4-bis[(Z)-2-[(1S,3as,4S,7as)-1-tert-butoxy-7A-methyl-2,3,3A,4,7,7A-hexahydro-1H-inden-4-yl]vinyl}benzene |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
698.233406912 u |
Formula |
C38H52Br2O2 |
InChI |
InChI=1S/C38H52Br2O2/c1-35(2,3)41-33-19-17-29-25(11-9-21-37(29,33)7)13-15-27-23-28(32(40)24-31(27)39)16-14-26-12-10-22-38(8)30(26)18-20-34(38)42-36(4,5)6/h9-16,23-26,29-30,33-34H,17-22H2,1-8H3/b15-13-,16-14-/t25-,26-,29-,30-,33-,34-,37-,38-/m0/s1 |
InChIKey |
XNOKEGVOXSLAKH-BYGZLCNZSA-N |
Molecular Weight |
700.640 g/mol |
SMILES |
[C@]12([C@@](CC[C@@]2(OC(C)(C)C)[H])([C@@](\C=C/C2=C(C=C(C(=C2)\C=C/[C@]2([C@]3([C@]([C@@](OC(C)(C)C)(CC3)[H])(C)CC=C2)[H])[H])Br)Br)([H])C=CC1)[H])C |