Chem
J-GLOBAL ID:200907086577855376
Nikkaji number:J20.792F
Shanzhiside
シャンジシド
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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:
C16 H24 O11
Molecular formula furigana:
C16-H24-O11
Molecular weight:
392.357
InChI:
InChI=1S/C16H24O11/c1-16(24)2-6(18)8-5(13(22)23)4-25-14(9(8)16)27-15-12(21)11(20)10(19)7(3-17)26-15/h4,6-12,14-15,17-21,24H,2-3H2,1H3,(H,22,23)/t6-,7-,8+,9-,10-,11+,12-,14+,15+,16+/m1/s1
InChI key:
YSIFYNVXJOGADM-KDYWOABDSA-N
SMILES:
C[C@]1(O)C[C@@H](O)[C@H]2[C@@H]1[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C(=O)O
Systematic name (4):
(1S)-1α-(β-D-グルコピラノシルオキシ)-1,4aα,5,6,7,7aα-ヘキサヒドロ-5α,7α-ジヒドロキシ-7-メチルシクロペンタ[c]ピラン-4-カルボン酸
1α-(β-D-グルコピラノシルオキシ)-1,4aα,5,6,7,7aα-ヘキサヒドロ-5α,7α-ジヒドロキシ-7-メチルシクロペンタ[c]ピラン-4-カルボン酸
(1S,4aS,5R,7S,7aS)-5,7-ジヒドロキシ-7-メチル-1-{[(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}-1H,4aH,5H,6H,7H,7aH-シクロペンタ[c]ピラン-4-カルボン酸
(1S,4aS,5R,7S,7aS)-5,7-dihydroxy-7-methyl-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acid
Other name (5):
シャンジシド
シャンズヒシド
Shanzhiside
(1S)-1α-(β-D-Glucopyranosyloxy)-1,4aα,5,6,7,7aα-hexahydro-5α,7α-dihydroxy-7-methylcyclopenta[c]pyran-4-carboxylic acid
1α-(β-D-Glucopyranosyloxy)-1,4aα,5,6,7,7aα-hexahydro-5α,7α-dihydroxy-7-methylcyclopenta[c]pyran-4-carboxylic acid
CAS registry number:
29836-27-9
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