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

*Links on SpectraBase are not permalinks.

(-)-(1S,3aS,4S,7aS)-1-tert-Butyloxy-4-[(Z)-2-[2,5-dibromo-4-([1,3]dioxolan-2-yl)phenyl]vinyl}-7a-methyl-2,3,3a,4,7,7a-hexahydro-1H-indene

View entire compound with spectra: 1 MS (GC)

(-)-(1S,3aS,4S,7aS)-1-tert-Butyloxy-4-[(Z)-2-[2,5-dibromo-4-([1,3]dioxolan-2-yl)phenyl]vinyl}-7a-methyl-2,3,3a,4,7,7a-hexahydro-1H-indene
SpectraBase Compound ID IhpbuOEzcUG
InChI InChI=1S/C25H32Br2O3/c1-24(2,3)30-22-10-9-19-16(6-5-11-25(19,22)4)7-8-17-14-21(27)18(15-20(17)26)23-28-12-13-29-23/h5-8,14-16,19,22-23H,9-13H2,1-4H3/b8-7-/t16-,19-,22-,25-/m0/s1
InChIKey FYWQAAHHBSDCPX-YRZRVLTJSA-N
Mol Weight 540.3 g/mol
Molecular Formula C25H32Br2O3
Exact Mass 538.071821 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 IXbNJWdEdpM
Name (-)-(1S,3aS,4S,7aS)-1-tert-Butyloxy-4-[(Z)-2-[2,5-dibromo-4-([1,3]dioxolan-2-yl)phenyl]vinyl}-7a-methyl-2,3,3a,4,7,7a-hexahydro-1H-indene
Alternate Name(s) (6Z,17beta)-1,4-dibromo-17-tert-butoxy-2-(1,3-dioxolan-2-yl)-9,10-secoestra-1,3,5(10),6,9-pentaene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H32Br2O3
InChI InChI=1S/C25H32Br2O3/c1-24(2,3)30-22-10-9-19-16(6-5-11-25(19,22)4)7-8-17-14-21(27)18(15-20(17)26)23-28-12-13-29-23/h5-8,14-16,19,22-23H,9-13H2,1-4H3/b8-7-/t16-,19-,22-,25-/m0/s1
InChIKey FYWQAAHHBSDCPX-YRZRVLTJSA-N
Molecular Weight 540.336 g/mol
SMILES c1(cc(Br)c(cc1Br)\C=C/[C@]1([C@]2([C@]([C@@](OC(C)(C)C)(CC2)[H])(C)CC=C1)[H])[H])C1OCCO1
SPLASH splash10-053r-6010900000-7f87c12758d1394af7cc
Source of Spectrum QE-8-2121-13
Wiley ID 1557605