Chem
J-GLOBAL ID：201207021948075388   Nikkaji number：J3.009.430A

(3R,5R)-1-[[(1R)-1β-[(1R)-5-Hydroxy-1,5-dimethylhexyl]-7aβ-methyl-2,3,3aβ,6,7,7a-hexahydro-1H-indene-4-yl]ethynyl]-4β-methyl-1-cyclohexene-3β,5α-diol

(3R,5R)-1-[[(1R)-1β-[(1R)-5-ヒドロキシ-1,5-ジメチルヘキシル]-7aβ-メチル-2,3,3aβ,6,7,7a-ヘキサヒドロ-1H-インデン-4-イル]エチニル]-4β-メチル-1-シクロヘキセン-3β,5α-ジオール
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： C27H42O3
Molecular formula furigana： C27-H42-O3
Molecular weight： 414.630
InChI： InChI=1S/C27H42O3/c1-18(8-6-14-26(3,4)30)22-12-13-23-21(9-7-15-27(22,23)5)11-10-20-16-24(28)19(2)25(29)17-20/h9,16,18-19,22-25,28-30H,6-8,12-15,17H2,1-5H3/t18-,19-,22-,23-,24-,25-,27-/m1/s1
InChI key： YCBJWNMIMDLOPD-ADFBMCJESA-N
SMILES： C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2C(=CCC[C@]12C)C#CC1=C[C@@H](O)[C@@H](C)[C@H](O)C1
Systematic name  (3)：
  • (3R,5R)-1-[[(1R)-1β-[(1R)-5-ヒドロキシ-1,5-ジメチルヘキシル]-7aβ-メチル-2,3,3aβ,6,7,7a-ヘキサヒドロ-1H-インデン-4-イル]エチニル]-4β-メチル-1-シクロヘキセン-3β,5α-ジオール
  • (1R,2S,3R)-5-{2-[(1R,3aS,7aR)-1-[(2R)-6-ヒドロキシ-6-メチルヘプタン-2-イル]-7a-メチル-2,3,3a,6,7,7a-ヘキサヒドロ-1H-インデン-4-イル]エチニル}-2-メチルシクロヘキサ-4-エン-1,3-ジオール
  • (1R,2S,3R)-5-{2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-4-yl]ethynyl}-2-methylcyclohex-4-ene-1,3-diol
Other name (1)：
  • (3R,5R)-1-[[(1R)-1β-[(1R)-5-Hydroxy-1,5-dimethylhexyl]-7aβ-methyl-2,3,3aβ,6,7,7a-hexahydro-1H-indene-4-yl]ethynyl]-4β-methyl-1-cyclohexene-3β,5α-diol
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