| SpectraBase Spectrum ID |
CnJyxHPxq32 |
| Name |
(3aS*,8aS*)-6-Bromo-3a-[(2E)-3,7-dimethyl-2,6-octadienyl]-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-7-ol |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H29BrN2O |
| InChI |
InChI=1S/C21H29BrN2O/c1-14(2)6-5-7-15(3)10-11-21-12-13-24(4)20(21)23-18-16(21)8-9-17(22)19(18)25/h6,8-10,20,23,25H,5,7,11-13H2,1-4H3/b15-10+/t20-,21-/m0/s1 |
| InChIKey |
XZWZAEHOBMJOPL-CCHDSSJHSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np0105984 |
| Molecular Weight |
405.380 g/mol |
| Optical Rotation |
[a]D22 = -22.0 (c = 0.1 CHCl3) |
| Reported Formula |
C21H29N2O(79)Br |
| SMILES |
Oc1c2c(ccc1Br)[C@@]1(CCN([C@@]1(N2)[H])C)C\C=C\(CCC=C(C)C)C |
| SPLASH |
splash10-014r-1194200000-799e79e25fd11f3ea7c3 |
| Source of Spectrum |
G4-65-1636-5 |
| Wiley ID |
1883421 |
![(3AR*,8AS*)-6-BROMO-3A-[(2E)-3,7-DIMETHYL-2,6-OCTADIENYL]-1,2,3,3A,8,8A-HEXAHYDROPYRROLO-[2,3-B]-INDOL-7-OL](/api/spectrum/CnJyxHPxq32/structure.png?h=300&w=458 "(3AR*,8AS*)-6-BROMO-3A-[(2E)-3,7-DIMETHYL-2,6-OCTADIENYL]-1,2,3,3A,8,8A-HEXAHYDROPYRROLO-[2,3-B]-INDOL-7-OL")
