Chem
J-GLOBAL ID：200907057718711764
Nikkaji number：J1.920.808G
Pauciflorol A
パウシフロロールA
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： C42H32O9
Molecular formula furigana： C42-H32-O9
Molecular weight： 680.709
InChI：
InChI=1S/C42H32O9/c43-23-7-1-19(2-8-23)33-35(22-13-26(46)15-27(47)14-22)38-31(50)18-32-39-37(42(51-32)21-5-11-25(45)12-6-21)29-16-28(48)17-30(49)36(29)34(40(33)41(38)39)20-3-9-24(44)10-4-20/h1-18,33-35,37,40,42-50H/t33-,34+,35-,37+,40+,42-/m1/s1
InChI key：
MBGBQHRAJPLAPN-HOWWATCWSA-N
SMILES：
Oc1ccc(cc1)[C@H]1Oc2cc(O)c3[C@@H]([C@H]([C@H]4[C@@H](c5ccc(O)cc5)c5c(O)cc(O)cc5[C@H]1c2c34)c1ccc(O)cc1)c1cc(O)cc(O)c1
Systematic name (3)：
- (1S)-1β,6β,7β-トリス(4-ヒドロキシフェニル)-5α-(3,5-ジヒドロキシフェニル)-8,9-(1,3-ジヒドロキシ-1,3-ブタジエン-1,4-ジイル)-6,6aα,7,9aβ-テトラヒドロ-5H-2-オキサ-1H-シクロヘプタ[jkl]-as-インダセン-4-オール
- (1S,2S,3S,9S,10S,17S)-3-(3,5-ジヒドロキシフェニル)-2,9,17-トリス(4-ヒドロキシフェニル)-8-オキサペンタシクロ[8.7.2.04,18.07,19.011,16]ノナデカ-4,6,11,13,15,18-ヘキサエン-5,13,15-トリオール
- (1S,2S,3S,9S,10S,17S)-3-(3,5-dihydroxyphenyl)-2,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4,6,11,13,15,18-hexaene-5,13,15-triol
- (1S)-1β,6β,7β-Tris(4-hydroxyphenyl)-5α-(3,5-dihydroxyphenyl)-8,9-(1,3-dihydroxy-1,3-butadiene-1,4-diyl)-6,6aα,7,9aβ-tetrahydro-5H-2-oxa-1H-cyclohepta[jkl]-as-indacene-4-ol
- パウシフロロールA
- Pauciflorol A
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