Chem
J-GLOBAL ID：200907039699685716
Nikkaji number：J2.752.659D
(2S)-2α,3α-Diacetoxy-3aβ-(cyclohexyloxy)-1,2,3,3a-tetrahydrocyclopenta[a]indene
(2S)-2α,3α-ジアセトキシ-3aβ-(シクロヘキシルオキシ)-1,2,3,3a-テトラヒドロシクロペンタ[a]インデン
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
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
Molecular formula： C22H26O5
Molecular formula furigana： C22-H26-O5
Molecular weight： 370.445
InChI：
InChI=1S/C22H26O5/c1-14(23)25-20-13-17-12-16-8-6-7-11-19(16)22(17,21(20)26-15(2)24)27-18-9-4-3-5-10-18/h6-8,11-12,18,20-21H,3-5,9-10,13H2,1-2H3/t20-,21-,22+/m0/s1
InChI key：
GGQPRMGIWGPFAU-FDFHNCONSA-N
SMILES：
CC(=O)O[C@H]1CC2=Cc3ccccc3[C@@]2(OC2CCCCC2)[C@H]1OC(=O)C
Systematic name (3)：
- (2S)-2α,3α-ジアセトキシ-3aβ-(シクロヘキシルオキシ)-1,2,3,3a-テトラヒドロシクロペンタ[a]インデン
- (2S,3S,3aR)-2-(アセチルオキシ)-3a-(シクロヘキシルオキシ)-1H,2H,3H,3aH-シクロペンタ[a]インデン-3-イル アセタート
- (2S,3S,3aR)-2-(acetyloxy)-3a-(cyclohexyloxy)-1H,2H,3H,3aH-cyclopenta[a]inden-3-yl acetate
- (2S)-2α,3α-Diacetoxy-3aβ-(cyclohexyloxy)-1,2,3,3a-tetrahydrocyclopenta[a]indene
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