Chem
J-GLOBAL ID：200907096235158890
Nikkaji number：J2.752.658F
(2S)-2α,3α-Diacetoxy-3aβ-(cyclohexyloxy)-8-(phenylsulfonyl)-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)-8-(フェニルスルホニル)-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： C28H30O7S
Molecular formula furigana： C28-H30-O7-S
Molecular weight： 510.600
InChI：
InChI=1S/C28H30O7S/c1-18(29)33-25-17-24-26(36(31,32)21-13-7-4-8-14-21)22-15-9-10-16-23(22)28(24,27(25)34-19(2)30)35-20-11-5-3-6-12-20/h4,7-10,13-16,20,25,27H,3,5-6,11-12,17H2,1-2H3/t25-,27-,28-/m0/s1
InChI key：
RGZYVJJBYQZGDE-MYKRZTLLSA-N
SMILES：
CC(=O)O[C@H]1CC2=C(c3ccccc3[C@@]2(OC2CCCCC2)[C@H]1OC(=O)C)S(=O)(=O)c1ccccc1
Systematic name (3)：
- (2S)-2α,3α-ジアセトキシ-3aβ-(シクロヘキシルオキシ)-8-(フェニルスルホニル)-1,2,3,3a-テトラヒドロシクロペンタ[a]インデン
- (2S,3S,3aS)-2-(アセチルオキシ)-8-(ベンゼンスルホニル)-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,3aS)-2-(acetyloxy)-8-(benzenesulfonyl)-3a-(cyclohexyloxy)-1H,2H,3H,3aH-cyclopenta[a]inden-3-yl acetate
- (2S)-2α,3α-Diacetoxy-3aβ-(cyclohexyloxy)-8-(phenylsulfonyl)-1,2,3,3a-tetrahydrocyclopenta[a]indene
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