Chem
J-GLOBAL ID：200907066046261608
Nikkaji number：J2.752.656J
(2S)-3aβ-(Propargyloxy)-8-(phenylsulfonyl)-1,2,3,3a-tetrahydrocyclopenta[a]indene-2α,3α-diol
(2S)-3aβ-(プロパルギルオキシ)-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-2α,3α-ジオール
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： C21H18O5S
Molecular formula furigana： C21-H18-O5-S
Molecular weight： 382.430
InChI：
InChI=1S/C21H18O5S/c1-2-12-26-21-16-11-7-6-10-15(16)19(17(21)13-18(22)20(21)23)27(24,25)14-8-4-3-5-9-14/h1,3-11,18,20,22-23H,12-13H2/t18-,20-,21-/m0/s1
InChI key：
HZPGQPGVXATHCI-JBACZVJFSA-N
SMILES：
O[C@H]1CC2=C(c3ccccc3[C@@]2(OCC#C)[C@H]1O)S(=O)(=O)c1ccccc1
Systematic name (3)：
- (2S)-3aβ-(プロパルギルオキシ)-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-2α,3α-ジオール
- (2S,3S,3aS)-8-(ベンゼンスルホニル)-3a-(プロパ-2-イン-1-イルオキシ)-1H,2H,3H,3aH-シクロペンタ[a]インデン-2,3-ジオール
- (2S,3S,3aS)-8-(benzenesulfonyl)-3a-(prop-2-yn-1-yloxy)-1H,2H,3H,3aH-cyclopenta[a]indene-2,3-diol
- (2S)-3aβ-(Propargyloxy)-8-(phenylsulfonyl)-1,2,3,3a-tetrahydrocyclopenta[a]indene-2α,3α-diol
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