| SpectraBase Spectrum ID |
IVffMrNRu9F |
| Name |
Herbarumin II [(7S,8S,9R)-2,7,8-Trihydroxy-9-propyl-5-nonen-9-olide] |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H20O5 |
| InChI |
InChI=1S/C12H20O5/c1-2-5-10-11(15)8(13)6-3-4-7-9(14)12(16)17-10/h3,6,8-11,13-15H,2,4-5,7H2,1H3/b6-3+/t8-,9+,10+,11-/m0/s1 |
| InChIKey |
KQJGPGHQDDZVHJ-ZFOCBLLKSA-N |
| Molecular Weight |
244.287 g/mol |
| SMILES |
O[C@]1(C(O[C@@]([C@]([C@](\C=C\CC1)(O)[H])(O)[H])(CCC)[H])=O)[H] |
| SPLASH |
splash10-00kf-9300000000-ced4384bf7f57abcb2d9 |
| Source of Spectrum |
F-56-5343-2 |
| Synonyms |
(E)-(3R,8S,9S,10R)-3,8,9-Trihydroxy-10-propyl-3,4,5,8,9,10-hexahydro-oxecin-2-one
(2R,3S,4S,5E,9R)-3,4,9-tris(oxidanyl)-2-propyl-2,3,4,7,8,9-hexahydrooxecin-10-one |
| Wiley ID |
857850 |
