SpectraBase Spectrum ID |
1b9tTfW9H3C |
Name |
Sugiol |
CAS Registry Number |
511-05-7 |
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 |
300.208930140 u |
Formula |
C20H28O2 |
GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness) |
GC Oven Program |
60 °C to 246 °C at 3 °C/min. |
InChI |
InChI=1S/C20H28O2/c1-12(2)13-9-14-15(10-16(13)21)20(5)8-6-7-19(3,4)18(20)11-17(14)22/h9-10,12,18,21H,6-8,11H2,1-5H3/t18-,20+/m0/s1 |
InChIKey |
IPEHJNRNYPOFII-AZUAARDMSA-N |
Molecular Weight |
300.442 g/mol |
Nominal Mass |
300 u |
Number of Peaks |
220 |
SMILES |
Oc1cc2[C@]3(C)[C@](C(C)(C)CCC3)(CC(c2cc1C(C)C)=O)[H] |
SPLASH |
splash10-0uy0-2592000000-b5b439be89a463dc6f13 |
Source |
ex TAXODIUM DISTICHUM,GREEN CONES, PENTANT EXT. |
Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
Wiley ID |
RA001290 |