Chem
J-GLOBAL ID:200907002493997389
Nikkaji number:J493.580B
Mussaenosidic acid
ムッセノシド酸
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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 O10
Molecular formula furigana:
C16-H24-O10
Molecular weight:
376.358
InChI:
InChI=1S/C16H24O10/c1-16(23)3-2-6-7(13(21)22)5-24-14(9(6)16)26-15-12(20)11(19)10(18)8(4-17)25-15/h5-6,8-12,14-15,17-20,23H,2-4H2,1H3,(H,21,22)/t6-,8-,9-,10-,11+,12-,14+,15+,16+/m1/s1
InChI key:
VLCHQFXSBHIBRV-NJPMDSMTSA-N
SMILES:
C[C@]1(O)CC[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-7α-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)-7α-ヒドロキシ-7-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,4aS,7S,7aS)-7-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,7S,7aS)-7-hydroxy-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 (4):
(1S)-1α-[(β-D-Glucopyranosyl)oxy]-1,4aα,5,6,7,7aα-hexahydro-7α-hydroxy-7-methylcyclopenta[c]pyran-4-carboxylic acid
ムッセノシド酸
Mussaenosidic acid
1α-(β-D-Glucopyranosyloxy)-7α-hydroxy-7-methyl-1,4aα,5,6,7,7aα-hexahydrocyclopenta[c]pyran-4-carboxylic acid
CAS registry number:
82451-22-7
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