| SpectraBase Spectrum ID |
1TvqrViEYS |
| Name |
7S,9S-Dihydroxy-5-deoxygeosmin |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H22O2 |
| InChI |
InChI=1S/C12H22O2/c1-8-4-3-5-12(2)10(8)6-9(13)7-11(12)14/h8-11,13-14H,3-7H2,1-2H3/t8-,9-,10+,11-,12+/m0/s1 |
| InChIKey |
LRMMAMMVADDDHZ-HHHUOAJASA-N |
| Instrument Name |
Thermo Q-Exactive GC |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.jnatprod.0c00304 |
| Molecular Weight |
198.306 g/mol |
| Optical Rotation |
[a]D24 = +2.9 (c = 0.06, MeOH) |
| Reported Formula |
C12H22O2 |
| SMILES |
O[C@@]1([C@@]2(CCC[C@@]([C@]2(C[C@@](C1)(O)[H])[H])(C)[H])C)[H] |
| SPLASH |
splash10-06r2-3900000000-2ac85b8b93ee9ca6c1ca |
| Source of Spectrum |
G4-83-SM4-5 |
| Wiley ID |
1876898 |
