Chem
J-GLOBAL ID:200907035438229700
Nikkaji number:J919.044I
Grovesiin
グロベシイン
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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:
C17 H20 O8
Molecular formula furigana:
C17-H20-O8
Molecular weight:
352.339
InChI:
InChI=1S/C17H20O8/c1-10(2)7-15(20)24-9-12-16(23-4)11(8-18)13(25-17(12)21)5-6-14(19)22-3/h5-7,18H,8-9H2,1-4H3/b6-5+
InChI key:
YVTIJGPTRUSDKT-AATRIKPKSA-N
SMILES:
COC(=O)/C=C/c1oc(=O)c(COC(=O)C=C(C)C)c(OC)c1CO
Systematic name (4):
3-メチル-2-ブテン酸[2-オキソ-4-メトキシ-5-(ヒドロキシメチル)-6-[(E)-3-オキソ-3-メトキシ-1-プロペニル]-2H-ピラン-3-イル]メチル
3-メチル-2-ブテン酸2-オキソ-4-メトキシ-5-(ヒドロキシメチル)-6-[(E)-3-メトキシ-3-オキソ-1-プロペニル]-2H-ピラン-3-イルメチル
[5-(ヒドロキシメチル)-4-メトキシ-6-[(1E)-3-メトキシ-3-オキソプロパ-1-エン-1-イル]-2-オキソ-2H-ピラン-3-イル]メチル 3-メチルブタ-2-エノアート
[5-(hydroxymethyl)-4-methoxy-6-[(1E)-3-methoxy-3-oxoprop-1-en-1-yl]-2-oxo-2H-pyran-3-yl]methyl 3-methylbut-2-enoate
Other name (6):
グロベシイン
Grovesiin
3-Methyl-2-butenoic acid [2-oxo-4-methoxy-5-(hydroxymethyl)-6-[(E)-3-oxo-3-methoxy-1-propenyl]-2H-pyran-3-yl]methyl ester
3-Methyl-2-butenoic acid 2-oxo-4-methoxy-5-(hydroxymethyl)-6-[(E)-3-methoxy-3-oxo-1-propenyl]-2H-pyran-3-ylmethyl ester
マクロフィン
Macrophin
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CAS registry number:
115722-21-9
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