Chem
J-GLOBAL ID：201107030906337635   Nikkaji number：J2.971.424J

(1S,3aα)-1β-(Methoxymethoxy)-4α-[2-[(1S)-1-(methoxymethoxy)-2-methylene-3β-hydroxycyclohexane-1α-yl]ethyl]-7aβ-methyloctahydro-1H-indene-5-one

(1S,3aα)-1β-(メトキシメトキシ)-4α-[2-[(1S)-1-(メトキシメトキシ)-2-メチレン-3β-ヒドロキシシクロヘキサン-1α-イル]エチル]-7aβ-メチルオクタヒドロ-1H-インデン-5-オン
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： C23H38O6
Molecular formula furigana： C23-H38-O6
Molecular weight： 410.551
InChI： InChI=1S/C23H38O6/c1-16-19(24)6-5-11-23(16,29-15-27-4)13-9-17-18-7-8-21(28-14-26-3)22(18,2)12-10-20(17)25/h17-19,21,24H,1,5-15H2,2-4H3/t17-,18-,19-,21-,22-,23-/m0/s1
InChI key： CPAPGWAXKKYJBU-MRUOYJSDSA-N
SMILES： COCO[C@H]1CC[C@H]2[C@H](CC[C@]3(CCC[C@H](O)C3=C)OCOC)C(=O)CC[C@]12C
Systematic name  (3)：
  • (1S,3aα)-1β-(メトキシメトキシ)-4α-[2-[(1S)-1-(メトキシメトキシ)-2-メチレン-3β-ヒドロキシシクロヘキサン-1α-イル]エチル]-7aβ-メチルオクタヒドロ-1H-インデン-5-オン
  • (1S,3aS,4S,7aS)-4-{2-[(1S,3S)-3-ヒドロキシ-1-(メトキシメトキシ)-2-メチリデンシクロヘキシル]エチル}-1-(メトキシメトキシ)-7a-メチル-オクタヒドロ-1H-インデン-5-オン
  • (1S,3aS,4S,7aS)-4-{2-[(1S,3S)-3-hydroxy-1-(methoxymethoxy)-2-methylidenecyclohexyl]ethyl}-1-(methoxymethoxy)-7a-methyl-octahydro-1H-inden-5-one
Other name (1)：
  • (1S,3aα)-1β-(Methoxymethoxy)-4α-[2-[(1S)-1-(methoxymethoxy)-2-methylene-3β-hydroxycyclohexane-1α-yl]ethyl]-7aβ-methyloctahydro-1H-indene-5-one
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