| SpectraBase Spectrum ID |
I5Q1iesaBd0 |
| Name |
1.beta.-Hydroxy-11(RS)-8-oxoeremophil-6,9-dien-12-al |
| Appearance |
Colorless gum |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H20O3 |
| InChI |
InChI=1S/C15H20O3/c1-9(8-16)11-7-15(3)10(2)4-5-13(17)12(15)6-14(11)18/h6-10,13,17H,4-5H2,1-3H3/t9?,10-,13+,15+/m0/s1 |
| InChIKey |
VPFADTWMSCOYGD-HIQSBDGRSA-N |
| Instrument Name |
HP5989A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np070113x |
| Molecular Weight |
248.322 g/mol |
| Optical Rotation |
[a]D22 = -40 (c = 1.4, MeOH), 1:1 mixture |
| Reported Formula |
C15H20O3 |
| SMILES |
O[C@@]1(CC[C@@]([C@@]2(C1=CC(C(=C2)C(C=O)C)=O)C)(C)[H])[H] |
| SPLASH |
splash10-000i-2910000000-c4cfdea2725953bfd8d1 |
| Sample Comments |
1:1 mixture |
| Source of Spectrum |
G4-70-1262-4a+4b |
| Wiley ID |
1874605 |
