| SpectraBase Spectrum ID |
5zzbs4WdVhh |
| Name |
(17E)-(13alphaH)-malabarica-14(27),17,21-triene |
| Alternate Name(s) |
(3S,3aS,5aS,9aS,9bS)-3-((E)-6,10-dimethylundeca-1,5,9-trien-2-yl)-3a,6,6,9a-tetramethyldodecahydro-1H-cyclopenta[a]naphthalene |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H50 |
| InChI |
InChI=1S/C30H50/c1-22(2)12-9-13-23(3)14-10-15-24(4)25-16-17-27-29(25,7)21-18-26-28(5,6)19-11-20-30(26,27)8/h12,14,25-27H,4,9-11,13,15-21H2,1-3,5-8H3/b23-14+/t25-,26-,27-,29-,30-/m0/s1 |
| InChIKey |
HKMNNTWBKGKUAB-WCXNYYKJSA-N |
| Literature Reference DOI |
10.1002/cbic.201800281 |
| Molecular Weight |
410.730 g/mol |
| SMILES |
C1C[C@]2([C@@](CC[C@@]3([C@@]2(CC[C@]3(C(CC\C=C\(CCC=C(C)C)C)=C)[H])[H])C)(C(C1)(C)C)[H])C |
| SPLASH |
splash10-05o3-8920100000-bcb409d1063e6d2fac43 |
| Source of Spectrum |
CBC-19-SM22-20 |
| Wiley ID |
1814172 |
