| SpectraBase Spectrum ID |
8G2MXQGX0bI |
| Name |
Tirucallol |
| Classification |
Triterpene |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
426.386166229 u |
| Formula |
C30H50O |
| InChI |
InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22-,25?,26-,28+,29-,30+/m0/s1 |
| InChIKey |
CAHGCLMLTWQZNJ-MYCNQDPZSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
426.729 g/mol |
| Nominal Mass |
426 u |
| Quality |
946 |
| Retention Index |
3188 |
| SMILES |
O[C@@]1(C(C2[C@@](C3=C([C@@]4([C@]([C@]([C@](CCC=C(C)C)(C)[H])(CC4)[H])(CC3)C)C)CC2)(CC1)C)(C)C)[H] |
| SPLASH |
splash10-03di-3952400000-4ccaba4c1715444af92c |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(2S,5S,7R,11S,14S,15S)-2,6,6,11,15-Pentamethyl-14-[(2S)-6-methylhept-5-en-2-yl]tetracyclo \r[8.7.0.02,7.011,15]heptadec-1(10)-en-5-ol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_026247 |
