Chem
J-GLOBAL ID:201207097221001744
Nikkaji number:J3.029.160C
Cichorioside C
チコリオシドC
Download MOL file
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 H32 O9
Molecular formula furigana:
C21-H32-O9
Molecular weight:
428.478
InChI:
InChI=1S/C21H32O9/c1-9-4-5-13(29-21-19(26)18(25)17(24)15(8-22)30-21)10(2)7-14-16(12(23)6-9)11(3)20(27)28-14/h4,7,11-19,21-26H,5-6,8H2,1-3H3/b9-4+,10-7+/t11-,12-,13-,14-,15+,16+,17+,18-,19+,21+/m0/s1
InChI key:
JSOWYWSOJSNXRV-GPEWDUERSA-N
SMILES:
C[C@H]1[C@H]2[C@@H](OC1=O)/C=C(\C)/[C@H](C/C=C(\C)/C[C@@H]2O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name (3):
(3S,3aR,6E,9S,10E,11aS)-3a,4,5,8,9,11a-ヘキサヒドロ-4β-ヒドロキシ-3β,6,10-トリメチル-9-(β-D-グルコピラノシルオキシ)シクロデカ[b]フラン-2(3H)-オン
(3S,3aR,4S,9S,11aS)-4-ヒドロキシ-3,6,10-トリメチル-9-{[(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]オキシ}-2H,3H,3aH,4H,5H,8H,9H,11aH-シクロデカ[b]フラン-2-オン
(3S,3aR,4S,9S,11aS)-4-hydroxy-3,6,10-trimethyl-9-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-2-one
Other name (3):
(3S,3aR,6E,9S,10E,11aS)-3a,4,5,8,9,11a-Hexahydro-4β-hydroxy-3β,6,10-trimethyl-9-(β-D-glucopyranosyloxy)cyclodeca[b]furan-2(3H)-one
チコリオシドC
Cichorioside C
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