Chem
J-GLOBAL ID:201807012277832982
Nikkaji number:J3.722.057D
Garicnin O
ガーリックニンO
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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:
C11 H16 O4 [O-]S2 [S+]
Molecular formula furigana:
C11-H16-O5-S3
Molecular weight:
324.420
InChI:
InChI=1S/C11H16O5S3/c1-3-4-17-18-9-6(2)11(14)8(19(9)15)7(12)5-16-10(11)13/h3,6-9,12,14H,1,4-5H2,2H3/t6-,7+,8+,9+,11-,19?/m0/s1
InChI key:
RCHTUKZFFOKHKJ-CPCKZZTDSA-N
SMILES:
C[C@H]1[C@H](SSCC=C)[S+]([O-])[C@@H]2[C@H](O)COC(=O)[C@]12O
Systematic name (3):
(7aα)-2β-(アリルジチオ)-3α-メチル-3aα,7β-ジヒドロキシ-4-オキソヘキサヒドロ-4H-チエノ[3,2-c]ピラン-1-オキシド
(2S,3R,3aR,7R,7aR)-3a,7-ジヒドロキシ-3-メチル-4-オキソ-2-(プロパ-2-エン-1-イルジスルファニル)-オクタヒドロチエノ[3,2-c]ピラン-1-イウム-1-オラート
(2S,3R,3aR,7R,7aR)-3a,7-dihydroxy-3-methyl-4-oxo-2-(prop-2-en-1-yldisulfanyl)-octahydrothieno[3,2-c]pyran-1-ium-1-olate
Other name (3):
(7aα)-2β-(Allyldithio)-3α-methyl-3aα,7β-dihydroxy-4-oxohexahydro-4H-thieno[3,2-c]pyran-1-oxide
ガーリックニンO
Garicnin O
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