| SpectraBase Spectrum ID |
oytWFt6nI |
| Name |
(3S,3aS,8aR,9aS)-4-[(E)-2-((2S,6R)-1,2-Dimethylpiperidin-6-yl)ethenyl]-3-methyl-3a,5,6,7,8,8a,9,9a-octahydro-3H-naphtho[2,3-c]furan-1-one |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
343.251129305 u |
| Formula |
C22H33NO2 |
| InChI |
InChI=1S/C22H33NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h11-12,14-17,20-21H,4-10,13H2,1-3H3/b12-11+/t14-,15-,16+,17+,20-,21+/m0/s1 |
| InChIKey |
ZVAPYTXSWKBEEB-RCKFTBJMSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3998/ark.5550190.0004.403 |
| Molecular Weight |
343.511 g/mol |
| Optical Rotation |
[a]D20 = -61.5 (c = 1.049, CHCl3) |
| Quality |
272 |
| SMILES |
C[C@@]1(N([C@](CCC1)(\C=C\C1=C2[C@@](C[C@]3([C@@]1([C@@](OC3=O)(C)[H])[H])[H])(CCCC2)[H])[H])C)[H] |
| SPLASH |
splash10-08i3-6903000000-aaded75aeece4d5c775e |
| Source of Spectrum |
ARK-2003-39-14a (DOI: 10.3998/ark.5550190.0004.403) |
| Thin-Layer Chromatography |
0.28 (isooctane/acetone, 2:3) |
| Wiley ID |
1899912 |
![(3S,3aS,8aR,9aS)-4-[(E)-2-((2S,6R)-1,2-Dimethylpiperidin-6-yl)ethenyl]-3-methyl-3a,5,6,7,8,8a,9,9a-octahydro-3H-naphtho[2,3-c]furan-1-one](/api/spectrum/oytWFt6nI/structure.png?h=300&w=458 "(3S,3aS,8aR,9aS)-4-[(E)-2-((2S,6R)-1,2-Dimethylpiperidin-6-yl)ethenyl]-3-methyl-3a,5,6,7,8,8a,9,9a-octahydro-3H-naphtho[2,3-c]furan-1-one")
