Chem
J-GLOBAL ID：200907068400241809   Nikkaji number：J1.300.465J

Megastigmane

メガスチグマン
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： C13H24O4
Molecular formula furigana： C13-H24-O4
Molecular weight： 244.331
InChI： InChI=1S/C13H24O4/c1-9(14)5-6-13(17)11(2,3)7-10(15)8-12(13,4)16/h5-6,9-10,14-17H,7-8H2,1-4H3/t9-,10-,12+,13+/m0/s1
InChI key： CTCKPFXFWVNGLG-YRRQLQLVSA-N
SMILES： C[C@H](O)C=C[C@@]1(O)C(C)(C)C[C@H](O)C[C@@]1(C)O
Systematic name  (3)：
  • (1R)-1-[(S)-3-ヒドロキシ-1-ブテニル]-2,6,6-トリメチルシクロヘキサン-1β,2α,4β-トリオール
  • (1R,2R,4S)-1-[(3S)-3-ヒドロキシブタ-1-エン-1-イル]-2,6,6-トリメチルシクロヘキサン-1,2,4-トリオール
  • (1R,2R,4S)-1-[(3S)-3-hydroxybut-1-en-1-yl]-2,6,6-trimethylcyclohexane-1,2,4-triol
Other name (3)：
  • (1R)-1-[(S)-3-Hydroxy-1-butenyl]-2,6,6-trimethylcyclohexane-1β,2α,4β-triol
  • メガスチグマン
  • Megastigmane
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Thesaurus Map

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