Chem
J-GLOBAL ID：200907079448097663   Nikkaji number：J16.503D

Inflexin

インフレキシン
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： C24H32O7
Molecular formula furigana： C24-H32-O7
Molecular weight： 432.513
InChI： InChI=1S/C24H32O7/c1-11-14-7-16(30-12(2)25)20-23(6)17(28)8-18(31-13(3)26)22(4,5)19(23)15(27)10-24(20,9-14)21(11)29/h14,16-20,28H,1,7-10H2,2-6H3/t14-,16+,17+,18+,19-,20+,23-,24+/m1/s1
InChI key： LSJBRRZMOVGSIZ-XRBPMINJSA-N
SMILES： CC(=O)O[C@H]1C[C@@H]2C[C@@]3(CC(=O)[C@@H]4C(C)(C)[C@H](C[C@H](O)[C@@]4(C)[C@H]13)OC(=O)C)C(=O)C2=C
Systematic name  (3)：
  • 3β,11β-ジアセトキシ-1α-ヒドロキシカウラ-16-エン-6,15-ジオン
  • (1S,4R,6S,8S,9S,10S,11S,13S)-6-(アセチルオキシ)-8-ヒドロキシ-5,5,9-トリメチル-14-メチリデン-3,15-ジオキソテトラシクロ[11.2.1.01,10.04,9]ヘキサデカン-11-イル アセタート
  • (1S,4R,6S,8S,9S,10S,11S,13S)-6-(acetyloxy)-8-hydroxy-5,5,9-trimethyl-14-methylidene-3,15-dioxotetracyclo[11.2.1.01,10.04,9]hexadecan-11-yl acetate
Other name (3)：
  • インフレキシン
  • Inflexin
  • 3β,11β-Diacetoxy-1α-hydroxykaura-16-ene-6,15-dione
CAS registry number： 39388-66-4
KEGG COMPOUND： C09111
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