| SpectraBase Spectrum ID |
BiRjAvzi1f8 |
| Name |
(3R,3aS,7S,7aS)-3-tert-Butyloxy-3a-methyl-7(Z)-[2-(2-bromophenyl)vinyl]-2,3,3a,4,7,7a-hexahydro-1H-indene |
| Alternate Name(s) |
(3S,3aS,7S,7aS)-3-tert-Butyloxy-3a-methyl-7(Z)-[2-(2-bromo-phenyl)vinyl]-2,3,3a,4,7,7a-hexahydro-1H-indene
(6Z,17beta)-4-bromo-17-tert-butoxy-9,10-secoestra-1,3,5(10),6,9-pentaene |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H29BrO |
| InChI |
InChI=1S/C22H29BrO/c1-21(2,3)24-20-14-13-18-16(9-7-15-22(18,20)4)11-12-17-8-5-6-10-19(17)23/h5-12,16,18,20H,13-15H2,1-4H3/b12-11-/t16-,18-,20-,22-/m0/s1 |
| InChIKey |
CJHVIULDINQKLP-ANGVJOKOSA-N |
| Molecular Weight |
389.377 g/mol |
| SMILES |
[C@]12([C@@](CC[C@@]2(OC(C)(C)C)[H])([C@@](\C=C/c2c(Br)cccc2)([H])C=CC1)[H])C |
| SPLASH |
splash10-08fr-0692000000-a73cf4a1c31fc27fb39d |
| Source of Spectrum |
C-120-8976-23 |
| Wiley ID |
760983 |
![(3R,3aS,7S,7aS)-3-tert-Butyloxy-3a-methyl-7(Z)-[2-(2-bromophenyl)vinyl]-2,3,3a,4,7,7a-hexahydro-1H-indene](/api/spectrum/BiRjAvzi1f8/structure.png?h=300&w=458 "(3R,3aS,7S,7aS)-3-tert-Butyloxy-3a-methyl-7(Z)-[2-(2-bromophenyl)vinyl]-2,3,3a,4,7,7a-hexahydro-1H-indene")
