Chem
J-GLOBAL ID:200907046415411499
Nikkaji number:J617.358F
Deoxyloganic acid
デオキシロガニン酸
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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 O9
Molecular formula furigana:
C16-H24-O9
Molecular weight:
360.359
InChI:
InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)/t6-,7+,9+,10+,11+,12-,13+,15-,16-/m0/s1
InChI key:
DSXFHNSGLYXPNG-YDYVGBNJSA-N
SMILES:
C[C@H]1CC[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)-7α-メチル-1,4aα,5,6,7,7aα-ヘキサヒドロシクロペンタ[c]ピラン-4-カルボン酸
(1S)-1,4aα,5,6,7,7aα-ヘキサヒドロ-1α-(β-D-グルコピラノシルオキシ)-7α-メチルシクロペンタ[c]ピラン-4-カルボン酸
(1S,4aS,7S,7aR)-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,7S,7aR)-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 (11):
デオキシロガニン酸
Deoxyloganic acid
(1S)-1α-(β-D-Glucopyranosyloxy)-7α-methyl-1,4aα,5,6,7,7aα-hexahydrocyclopenta[c]pyran-4-carboxylic acid
ジデオキシジヒドロモノトロペイン
Dideoxydihydromonotropein
(1S)-1,4aα,5,6,7,7aα-Hexahydro-1α-(β-D-glucopyranosyloxy)-7α-methylcyclopenta[c]pyran-4-carboxylic acid
7-Deoxyloganate
7-デオキシロガン酸
ビスデオキシジヒドロモノトロペイン
Bisdeoxydihydromonotropein
7-Deoxyloganic acid
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CAS registry number:
22487-36-1
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