| SpectraBase Spectrum ID |
573oFYe9Rc0 |
| Name |
4,5-Dihydroxyblumenol A |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H22O3 |
| InChI |
InChI=1S/C13H22O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-6,9-10,14,16H,7-8H2,1-4H3/b6-5+/t9-,10-,13-/m1/s1 |
| InChIKey |
IHDJYDVWNNFPHR-CHESLIBASA-N |
| Molecular Weight |
226.316 g/mol |
| SMILES |
O[C@@](\C=C\[C@@]1(C(CC(C[C@]1(C)[H])=O)(C)C)O)(C)[H] |
| SPLASH |
splash10-000i-9010000000-aac3f9dd88e2d576789e |
| Source of Spectrum |
QA-44-324-28 |
| Synonyms |
(4S,5R)-4-hydroxy-4-[(E,3R)-3-hydroxybut-1-enyl]-3,3,5-trimethyl-1-cyclohexanone
(4S,5R)-4-hydroxy-4-[(E,3R)-3-hydroxybut-1-enyl]-3,3,5-trimethylcyclohexan-1-one
(4S,5R)-3,3,5-trimethyl-4-oxidanyl-4-[(E,3R)-3-oxidanylbut-1-enyl]cyclohexan-1-one |
| Wiley ID |
862424 |
