| SpectraBase Spectrum ID |
GBpI8H9r7s6 |
| Name |
(+)-(1R,4S)-11-Allyl-2-(2,4-dimethoxybenzyl)-7-methoxy-1,2,3,4,5,10-hexahydro-4,1-iminomethanoazepino[3,4-b]indole |
| Appearance |
Pale yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H31N3O3 |
| InChI |
InChI=1S/C26H31N3O3/c1-5-10-28-16-24-26-22(21-12-19(30-2)8-9-23(21)27-26)11-18(28)15-29(24)14-17-6-7-20(31-3)13-25(17)32-4/h5-9,12-13,18,24,27H,1,10-11,14-16H2,2-4H3/t18-,24+/m0/s1 |
| InChIKey |
ZLCBBAFQSVPHMJ-MHECFPHRSA-N |
| Instrument Name |
Thermo-Finnigan MAT GCQ |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jm801522j |
| Molecular Weight |
433.552 g/mol |
| Optical Rotation |
[a]D20 = +133.9 (c = 0.19, CH2Cl2) |
| SMILES |
[nH]1c2c(c3c1[C@]1(CN([C@@](C3)(CN1Cc1ccc(cc1OC)OC)[H])CC=C)[H])cc(cc2)OC |
| SPLASH |
splash10-0ue9-0920600000-4b1ebbb9536d94fc3ee5 |
| Source of Spectrum |
AF-52-SM35-21b |
| Thin-Layer Chromatography |
Rf = 0.01 (CH2Cl2/methanol, 50:1) |
| Wiley ID |
1873844 |
![(+)-(1R,4S)-11-Allyl-2-(2,4-dimethoxybenzyl)-7-methoxy-1,2,3,4,5,10-hexahydro-4,1-iminomethanoazepino[3,4-b]indole](/api/spectrum/GBpI8H9r7s6/structure.png?h=300&w=458 "(+)-(1R,4S)-11-Allyl-2-(2,4-dimethoxybenzyl)-7-methoxy-1,2,3,4,5,10-hexahydro-4,1-iminomethanoazepino[3,4-b]indole")
