SpectraBase Spectrum ID |
59gaEHIGFRW |
Name |
Abienol |
CAS Registry Number |
1616-86-0 |
Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
Exact Mass |
290.260965714 u |
Formula |
C20H34O |
InChI |
InChI=1S/C20H34O/c1-7-15(2)9-10-17-19(5)13-8-12-18(3,4)16(19)11-14-20(17,6)21/h7,9,16-17,21H,1,8,10-14H2,2-6H3/b15-9+/t16?,17-,19+,20-/m1/s1 |
InChIKey |
ZAZVCYBIABTSJR-QKVGIVIGSA-N |
Molecular Weight |
290.491 g/mol |
Number of Peaks |
50 |
RI1 |
2152 |
SMILES |
O[C@]1([C@@]([C@@]2(C(CC1)C(CCC2)(C)C)C)(C\C=C/(C)C=C)[H])C |
SPLASH |
splash10-001l-9700000000-25659a100c46cdebb5ed |
Sample Comments |
RI1: measured on SLB-5ms (Hydro)
RI2: measured on SLB-5ms (FAMEs)
RI3: measured on Supelcowax-10 (FAMEs)
RI4: measured on Supelcowax-10 (FAEEs)
RI5: measured on Equity-1 (Hydro) |
Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
Synonyms |
2-Naphthalenol, decahydro-2,5,5,8a-tetramethyl-1-(3-methyl-2,4-pentadien-1-yl)- |
Wiley ID |
LM_FFNSC3_2306 |