Chem
J-GLOBAL ID:200907023307706504
Nikkaji number:J1.419.067H
Crinatusin B2
クリナツシンB2
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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:
C27 H32 O4
Molecular formula furigana:
C27-H32-O4
Molecular weight:
420.549
InChI:
InChI=1S/C27H32O4/c1-17(2)9-8-10-19-13-14-21(20-11-6-5-7-12-20)22(15-19)27(30)25-24(31-4)16-23(28)18(3)26(25)29/h5-7,9,11-13,16,21-22,28-29H,8,10,14-15H2,1-4H3/t21-,22?/m0/s1
InChI key:
JOEBLRXPBOSMJF-HMTLIYDFSA-N
SMILES:
COc1cc(O)c(C)c(O)c1C(=O)C1CC(=CC[C@H]1c1ccccc1)CCC=C(C)C
Systematic name (3):
(2-メトキシ-4,6-ジヒドロキシ-5-メチルフェニル)[(6R)-3-(4-メチル-3-ペンテニル)-6-フェニル-3-シクロヘキセニル]ケトン
5-メトキシ-2-メチル-4-[(6R)-3-(4-メチルペンタ-3-エン-1-イル)-6-フェニルシクロヘキサ-3-エン-1-カルボニル]ベンゼン-1,3-ジオール
5-methoxy-2-methyl-4-[(6R)-3-(4-methylpent-3-en-1-yl)-6-phenylcyclohex-3-ene-1-carbonyl]benzene-1,3-diol
Other name (3):
(2-Methoxy-4,6-dihydroxy-5-methylphenyl)[(6R)-3-(4-methyl-3-pentenyl)-6-phenyl-3-cyclohexenyl] ketone
クリナツシンB2
Crinatusin B2
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