Chem
J-GLOBAL ID:200907030028035353
Nikkaji number:J107.411C
Carthamone
カルタモン
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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:
C21 H20 O11
Molecular formula furigana:
C21-H20-O11
Molecular weight:
448.380
InChI:
InChI=1S/C21H20O11/c22-8-14-17(28)18(29)19(30)21(31-14)32-20-15(12(25)7-13(26)16(20)27)11(24)6-3-9-1-4-10(23)5-2-9/h1-7,14,17-19,21-23,26,28-30H,8H2/b6-3+/t14-,17-,18+,19-,21+/m1/s1
InChI key:
SBAFZBVZGFUKPK-MVAXXSNXSA-N
SMILES:
OC[C@H]1O[C@@H](OC2=C(C(=O)/C=C/c3ccc(O)cc3)C(=O)C=C(O)C2=O)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name (3):
3-(β-D-グルコピラノシルオキシ)-5-ヒドロキシ-2-[(E)-3-(4-ヒドロキシフェニル)-1-オキソ-2-プロペニル]-1,4-ベンゾキノン
5-ヒドロキシ-2-[(2E)-3-(4-ヒドロキシフェニル)プロパ-2-エノイル]-3-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}シクロヘキサ-2,5-ジエン-1,4-ジオン
5-hydroxy-2-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexa-2,5-diene-1,4-dione
Other name (3):
カルタモン
Carthamone
3-(β-D-Glucopyranosyloxy)-5-hydroxy-2-[(E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-1,4-benzoquinone
CAS registry number:
86579-00-2
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