For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(+)-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

View entire compound with spectra: 1 MS (GC)

(+)-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
SpectraBase Compound ID 4i8vV6Mw3hy
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
Mol Weight 700.6 g/mol
Molecular Formula C38H52Br2O2
Exact Mass 698.233407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID GmuOkrcTmBi
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
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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/c2c(cc(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
SPLASH splash10-0a4i-9000060000-7d0c929c16a838c832f8
Source of Spectrum QE-8-2123-4
Synonyms (6Z,17beta)-1-{(Z)-2-[(1S,3aS,4S,7aS)-1-tert-butoxy-7a-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-4-yl]ethenyl}-2,4-dibromo-17-tert-butoxy-9,10-secoestra-1(10),2,4,6,9-pentaene
Wiley ID 1557586