Chem
J-GLOBAL ID：200907044051907393   Nikkaji number：J987.387B

Shiromodiol diacetate

シロモジオールジアセタート
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： C19H30O5
Molecular formula furigana： C19-H30-O5
Molecular weight： 338.444
InChI： InChI=1S/C19H30O5/c1-11(2)16-15(22-13(4)20)10-12(3)8-7-9-19(6)18(24-19)17(16)23-14(5)21/h8,11,15-18H,7,9-10H2,1-6H3/b12-8+/t15-,16+,17?,18-,19-/m0/s1
InChI key： DRGFRBPYLMWXJS-JSIABKJESA-N
SMILES： CC(C)[C@@H]1[C@H](C/C(=C/CC[C@]2(C)O[C@H]2C1OC(=O)C)/C)OC(=O)C
Systematic name  (3)：
  • (1S,2R,3R,4S,6E,10S)-6,10-ジメチル-3-(1-メチルエチル)-11-オキサビシクロ[8.1.0]ウンデカ-6-エン-2,4-ジオールジアセタート
  • (1S,2R,3R,4S,6E,10S)-2-(アセチルオキシ)-6,10-ジメチル-3-(プロパン-2-イル)-11-オキサビシクロ[8.1.0]ウンデカ-6-エン-4-イル アセタート
  • (1S,2R,3R,4S,6E,10S)-2-(acetyloxy)-6,10-dimethyl-3-(propan-2-yl)-11-oxabicyclo[8.1.0]undec-6-en-4-yl acetate
Other name (3)：
  • (1S,2R,3R,4S,6E,10S)-6,10-Dimethyl-3-(1-methylethyl)-11-oxabicyclo[8.1.0]undec-6-ene-2,4-diol diacetate
  • シロモジオールジアセタート
  • Shiromodiol diacetate
CAS registry number： 20071-58-3
KEGG COMPOUND： C09725
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