Chem
J-GLOBAL ID：200907017130096484   Nikkaji number：J2.082.827G

(1S)-1β,4aβ-Dihydroxy-4,4,6aα,12bα-tetramethyl-9-(4-methoxyphenyl)-1,2,3,4a,5,6,6a,12b-octahydro-4H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-11-one

(5aR,7aR,11S,11aS)-7a,11-ジヒドロキシ-3-(4-メトキシフェニル)-5a,8,8,11a-テトラメチル-1,5a,6,7,7a,8,9,10,11,11a-デカヒドロ-2,5-ジオキサテトラフェン-1-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： C27H32O6
Molecular formula furigana： C27-H32-O6
Molecular weight： 452.547
InChI： InChI=1S/C27H32O6/c1-24(2)11-10-22(28)26(4)21-14-18-20(33-25(21,3)12-13-27(24,26)30)15-19(32-23(18)29)16-6-8-17(31-5)9-7-16/h6-9,14-15,22,28,30H,10-13H2,1-5H3/t22-,25+,26-,27+/m0/s1
InChI key： WWCPUHRYURJDGQ-VCWDAVCJSA-N
SMILES： COc1ccc(cc1)c1cc2O[C@]3(C)CC[C@@]4(O)C(C)(C)CC[C@H](O)[C@]4(C)C3=Cc2c(=O)o1
Systematic name  (3)：
  • (1S)-1β,4aβ-ジヒドロキシ-4,4,6aα,12bα-テトラメチル-9-(4-メトキシフェニル)-1,2,3,4a,5,6,6a,12b-オクタヒドロ-4H,11H-ナフト[2,1-b]ピラノ[3,4-e]ピラン-11-オン
  • (5aR,7aR,11S,11aS)-7a,11-ジヒドロキシ-3-(4-メトキシフェニル)-5a,8,8,11a-テトラメチル-1,5a,6,7,7a,8,9,10,11,11a-デカヒドロ-2,5-ジオキサテトラフェン-1-オン
  • (5aR,7aR,11S,11aS)-7a,11-dihydroxy-3-(4-methoxyphenyl)-5a,8,8,11a-tetramethyl-1,5a,6,7,7a,8,9,10,11,11a-decahydro-2,5-dioxatetraphen-1-one
Other name (1)：
  • (1S)-1β,4aβ-Dihydroxy-4,4,6aα,12bα-tetramethyl-9-(4-methoxyphenyl)-1,2,3,4a,5,6,6a,12b-octahydro-4H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-11-one
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