Chem
J-GLOBAL ID：200907061524755130   Nikkaji number：J580.691G

Ebelactone B

エベラクトンB
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C21H36O4
Molecular formula furigana： C21-H36-O4
Molecular weight： 352.515
InChI： InChI=1S/C21H36O4/c1-8-13(4)18(22)16(7)19(23)14(5)10-12(3)11-15(6)20-17(9-2)21(24)25-20/h10,13-18,20,22H,8-9,11H2,1-7H3/b12-10+/t13-,14-,15+,16+,17+,18-,20+/m1/s1
InChI key： UNBMQQNYLCPCHS-VYNDPHDASA-N
SMILES： CC[C@@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)/C=C(\C)/C[C@H](C)[C@@H]1OC(=O)[C@H]1CC
Systematic name  (3)：
  • (3S)-4α-[(1S,3E,5R,7S,8R,9R)-8-ヒドロキシ-1,3,5,7,9-ペンタメチル-6-オキソ-3-ウンデセニル]-3β-エチルオキセタン-2-オン
  • (3S,4S)-3-エチル-4-[(2S,4E,6R,8S,9R,10R)-9-ヒドロキシ-4,6,8,10-テトラメチル-7-オキソドデカ-4-エン-2-イル]オキセタン-2-オン
  • (3S,4S)-3-ethyl-4-[(2S,4E,6R,8S,9R,10R)-9-hydroxy-4,6,8,10-tetramethyl-7-oxododec-4-en-2-yl]oxetan-2-one
Other name (3)：
  • エベラクトンB
  • Ebelactone B
  • (3S)-4α-[(1S,3E,5R,7S,8R,9R)-8-Hydroxy-1,3,5,7,9-pentamethyl-6-oxo-3-undecenyl]-3β-ethyloxetan-2-one
CAS registry number： 76808-15-6
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