Chem
J-GLOBAL ID:200907004826893937
Nikkaji number:J1.358.761B
Hydroxysafflor yellow A
ヒドロキシサフロールイエローA
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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 O16
Molecular formula furigana:
C27-H32-O16
Molecular weight:
612.537
InChI:
InChI=1S/C27H32O16/c28-7-12-16(32)19(35)21(37)23(42-12)15-18(34)14(11(31)6-3-9-1-4-10(30)5-2-9)24(39)27(41,25(15)40)26-22(38)20(36)17(33)13(8-29)43-26/h1-6,12-13,16-17,19-23,26,28-30,32-33,35-41H,7-8H2/b6-3+/t12-,13-,16-,17-,19+,20+,21-,22-,23+,26-,27?/m1/s1
InChI key:
LIPJRCGLQNIXGO-ONZBGLOFSA-N
SMILES:
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=C(O)C(O)([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=C(C(=O)/C=C/c2ccc(O)cc2)C1=O)O
Systematic name (3):
2,4-ジ-β-D-グルコピラノシル-3,4,5-トリヒドロキシ-6-[(E)-3-(4-ヒドロキシフェニル)アクリロイル]-2,5-シクロヘキサジエン-1-オン
3,4,5-トリヒドロキシ-2-[(2E)-3-(4-ヒドロキシフェニル)プロパ-2-エノイル]-4-[(2R,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]-6-[(2S,3R,4R,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]シクロヘキサ-2,5-ジエン-1-オン
3,4,5-trihydroxy-2-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexa-2,5-dien-1-one
Other name (6):
2,4-Di-β-D-glucopyranosyl-3,4,5-trihydroxy-6-[(E)-3-(4-hydroxyphenyl)acryloyl]-2,5-cyclohexadiene-1-one
ヒドロキシサフロールイエローA
Hydroxysafflor yellow A
サフロミンA
Safflomin A
サフォロミンA
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CAS registry number:
78281-02-4
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