| SpectraBase Spectrum ID |
DfCV5xo43Yz |
| Name |
Herbarumin I [(7S,8S,9R)-7,8-Dihydroxy-9-propyl-5-nonen-9-olide] |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H20O4 |
| InChI |
InChI=1S/C12H20O4/c1-2-6-10-12(15)9(13)7-4-3-5-8-11(14)16-10/h4,7,9-10,12-13,15H,2-3,5-6,8H2,1H3/b7-4+/t9-,10+,12-/m0/s1 |
| InChIKey |
IZFXFVSOQMEZKB-MNFMDYEBSA-N |
| Molecular Weight |
228.288 g/mol |
| SMILES |
O[C@]1(\C=C\CCCC(O[C@@]([C@]1(O)[H])(CCC)[H])=O)[H] |
| SPLASH |
splash10-004j-9410000000-39041f6d0503adb58247 |
| Source of Spectrum |
F-56-5343-1 |
| Synonyms |
(2R,3S,4S,5E)-3,4-bis(oxidanyl)-2-propyl-2,3,4,7,8,9-hexahydrooxecin-10-one |
| Wiley ID |
857851 |
