Chem
J-GLOBAL ID:200907013154653133
Nikkaji number:J53.914G
Mezerein
メゼレイン
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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:
C38 H38 O10
Molecular formula furigana:
C38-H38-O10
Molecular weight:
654.712
InChI:
InChI=1S/C38H38O10/c1-21(2)36-30(44-27(40)18-12-11-15-24-13-7-5-8-14-24)23(4)37-26-19-22(3)29(41)35(26,43)33(42)34(20-39)31(45-34)28(37)32(36)46-38(47-36,48-37)25-16-9-6-10-17-25/h5-19,23,26,28,30-33,39,42-43H,1,20H2,2-4H3/b15-11+,18-12+/t23-,26-,28+,30-,31+,32-,33-,34+,35-,36+,37+,38-/m1/s1
InChI key:
DLEDLHFNQDHEOJ-UDTOXTEMSA-N
SMILES:
C[C@@H]1[C@@H](OC(=O)/C=C/C=C/c2ccccc2)[C@@]2(O[C@]3(O[C@@H]2[C@@H]2[C@@H]4O[C@]4(CO)[C@@H](O)[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)c1ccccc1)C(=C)C
Systematic name (4):
(2S)-3aβ,3bβ,3cβ,4a,5,5a,8aα,9,10,10a-デカヒドロ-5β,5aβ-ジヒドロキシ-4aβ-ヒドロキシメチル-7,9α-ジメチル-10aβ-(1-メチルエテニル)-10β-[[(2E,4E)-1-オキソ-5-フェニル-2,4-ペンタジエニル]オキシ]-2-フェニル-6H-2,8bα-エポキシオキシレノ[6,7]アズレノ[5,4-e]-1,3-ベンゾジオキソール-6-オン
12β-[[(2E,4E)-1-オキソ-5-フェニル-2,4-ペンタジエニル]オキシ]ダフネトキシン
(1R,2R,6S,7S,8R,10S,11S,12R,14S,16S,17R,18R)-6,7-ジヒドロキシ-8-(ヒドロキシメチル)-4,18-ジメチル-5-オキソ-14-フェニル-16-(プロパ-1-エン-2-イル)-9,13,15,19-テトラオキサヘキサシクロ[12.4.1.01,11 .02,6 .08,10 .012,16 ]ノナデカ-3-エン-17-イル (2E,4E)-5-フェニルペンタ-2,4-ジエノアート
(1R,2R,6S,7S,8R,10S,11S,12R,14S,16S,17R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-5-oxo-14-phenyl-16-(prop-1-en-2-yl)-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11 .02,6 .08,10 .012,16 ]nonadec-3-en-17-yl (2E,4E)-5-phenylpenta-2,4-dienoate
Other name (6):
メセレイン
メゼレイン
Mezerein
Meserein
(2S)-3aβ,3bβ,3cβ,4a,5,5a,8aα,9,10,10a-Decahydro-5β,5aβ-dihydroxy-4aβ-hydroxymethyl-7,9α-dimethyl-10aβ-(1-methylethenyl)-10β-[[(2E,4E)-1-oxo-5-phenyl-2,4-pentadienyl]oxy]-2-phenyl-6H-2,8bα-epoxyoxireno[6,7]azuleno[5,4-e]-1,3-benzodioxol-6-one
12β-[[(2E,4E)-1-Oxo-5-phenyl-2,4-pentadienyl]oxy]daphnetoxin
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CAS registry number:
34807-41-5
Regulation number (1):
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