| SpectraBase Spectrum ID |
DlXC2F99uID |
| Name |
(3S,3aS,7aR,10aR,10bS)-3,6,7a,10,10-pentamethyl-1,2,3,4,5,7,7a,8,9,10,10a,10b-dodecahydrocyclopenta[d]-s-indacene |
| Appearance |
Colourless oil |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
272.250401030 u |
| Formula |
C20H32 |
| InChI |
InChI=1S/C20H32/c1-13-8-9-20-14(2)6-7-15(20)17-18(3,4)10-11-19(17,5)12-16(13)20/h14-15,17H,6-12H2,1-5H3/t14-,15-,17+,19+,20-/m0/s1 |
| InChIKey |
GQNONAWUSDSPNL-ZLOLBAIHSA-N |
| Instrument Name |
Agilent 7890B-5977A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201803800 |
| Molecular Weight |
272.476 g/mol |
| Optical Rotation |
[a]D25 = +18.7 (c = 0.17, CHCl3) |
| Quality |
353 |
| Reported Formula |
C20H32 |
| SMILES |
[C@@]123[C@]([C@]4([C@@](CC3=C(CC1)C)(CCC4(C)C)C)[H])(CC[C@@]2(C)[H])[H] |
| SPLASH |
splash10-066s-1890000000-b9bdf0c30c7712b8ec0c |
| Sample Comments |
(+)-Allokutznerene |
| Source of Spectrum |
ACI-57-SM26-3 (DOI: 10.1002/anie.201803800) |
| Thin-Layer Chromatography |
0.60 (pentane) |
| Wiley ID |
1891094 |
![(3S,3aS,7aR,10aR,10bS)-3,6,7a,10,10-pentamethyl-1,2,3,4,5,7,7a,8,9,10,10a,10b-dodecahydrocyclopenta[d]-s-indacene](/api/spectrum/DlXC2F99uID/structure.png?h=300&w=458 "(3S,3aS,7aR,10aR,10bS)-3,6,7a,10,10-pentamethyl-1,2,3,4,5,7,7a,8,9,10,10a,10b-dodecahydrocyclopenta[d]-s-indacene")
