| SpectraBase Spectrum ID |
2kQNoiHEXSH |
| Name |
(3aR,7S,9aS,9bS)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e]benzofuran-7-ol |
| Appearance |
Colorless needle crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H28O2 |
| InChI |
InChI=1S/C16H28O2/c1-14(2)11-5-9-16(4)12(7-10-18-16)15(11,3)8-6-13(14)17/h11-13,17H,5-10H2,1-4H3/t11?,12-,13-,15-,16+/m0/s1 |
| InChIKey |
XZUJHYMMQZZRER-QBTDKDILSA-N |
| Instrument Name |
VG7070E |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np060159a |
| Molecular Weight |
252.398 g/mol |
| Optical Rotation |
[a]D25 = -8.0 (c = 0.97, CHCl3), -8.1 (c = 0.97, CHCl3), -9.0 (c= 0.97, CHCl3) |
| SMILES |
O[C@]1(CC[C@@]2([C@@]3(CCO[C@@]3(CCC2C1(C)C)C)[H])C)[H] |
| SPLASH |
splash10-000l-9420000000-897131ff262ab1374b47 |
| Source of Spectrum |
G4-69-1537-26 |
| Wiley ID |
1873974 |
![(3aR,7S,9aS,9bS)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e]benzofuran-7-ol](/api/spectrum/2kQNoiHEXSH/structure.png?h=300&w=458 "(3aR,7S,9aS,9bS)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e]benzofuran-7-ol")
