Chem
J-GLOBAL ID：200907066116727847
Nikkaji number：J1.309.341E
Hemsleyanol B
ヘムスレヤノールB
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： C42H32O10
Molecular formula furigana： C42-H32-O10
Molecular weight： 696.708
InChI：
InChI=1S/C42H32O10/c43-23-7-1-19(2-8-23)33-35-29(16-28(48)17-30(35)49)36-38-32(52-42(36)21-5-11-25(45)12-6-21)18-31-37(39(38)40(33)50)34(22-13-26(46)15-27(47)14-22)41(51-31)20-3-9-24(44)10-4-20/h1-18,33-34,36,40-50H/t33-,34+,36-,40-,41-,42+/m1/s1
InChI key：
AJCLKMHOIJLHRB-JHTHUSCRSA-N
SMILES：
O[C@@H]1[C@H](c2ccc(O)cc2)c2c(O)cc(O)cc2[C@H]2[C@@H](Oc3cc4O[C@@H]([C@H](c4c1c23)c1cc(O)cc(O)c1)c1ccc(O)cc1)c1ccc(O)cc1
Systematic name (3)：
- (1R)-1α,7α,13β-トリス(4-ヒドロキシフェニル)-12α-(3,5-ジヒドロキシフェニル)-1,6,7,11bα-テトラヒドロ-4,5-(エポキシエタノ)ベンゾ[6,7]シクロヘプタ[1,2,3-cd]ベンゾフラン-6α,8,10-トリオール
- (3S,4S,10R,11R,18R,19R)-3-(3,5-ジヒドロキシフェニル)-4,10,18-トリス(4-ヒドロキシフェニル)-5,9-ジオキサペンタシクロ[9.8.1.02,6.08,20.012,17]イコサ-1(20),2(6),7,12,14,16-ヘキサエン-14,16,19-トリオール
- (3S,4S,10R,11R,18R,19R)-3-(3,5-dihydroxyphenyl)-4,10,18-tris(4-hydroxyphenyl)-5,9-dioxapentacyclo[9.8.1.02,6.08,20.012,17]icosa-1(20),2(6),7,12,14,16-hexaene-14,16,19-triol
- (1R)-1α,7α,13β-Tris(4-hydroxyphenyl)-12α-(3,5-dihydroxyphenyl)-1,6,7,11bα-tetrahydro-4,5-(epoxyethano)benzo[6,7]cyclohepta[1,2,3-cd]benzofuran-6α,8,10-triol
- ヘムスレヤノールB
- Hemsleyanol B
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