Chem
J-GLOBAL ID:200907085736925660
Nikkaji number:J638.074C
5-O-Methylembelin
5-O-メチルエンベリン
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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:
C18 H28 O4
Molecular formula furigana:
C18-H28-O4
Molecular weight:
308.418
InChI:
InChI=1S/C18H28O4/c1-3-4-5-6-7-8-9-10-11-12-14-17(20)15(19)13-16(22-2)18(14)21/h13,20H,3-12H2,1-2H3
InChI key:
KHBJLRRAMCJZLZ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC1=C(O)C(=O)C=C(OC)C1=O
Systematic name (4):
2-ヒドロキシ-3-ウンデシル-5-メトキシ-2,5-シクロヘキサジエン-1,4-ジオン
2-ヒドロキシ-3-ウンデシル-5-メトキシ-1,4-ベンゾキノン
2-ヒドロキシ-5-メトキシ-3-ウンデシルシクロヘキサ-2,5-ジエン-1,4-ジオン
2-hydroxy-5-methoxy-3-undecylcyclohexa-2,5-diene-1,4-dione
Other name (4):
5-O-メチルエンベリン
5-O-Methylembelin
2-Hydroxy-3-undecyl-5-methoxy-2,5-cyclohexadiene-1,4-dione
2-Hydroxy-3-undecyl-5-methoxy-1,4-benzoquinone
CAS registry number:
56005-10-8
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