Chem
J-GLOBAL ID:200907003496216562
Nikkaji number:J1.618.036J
2-[(1R,2S,3S,4R,6R)-1,3-Dimethyl-2,4-dihydroxy-6-(4-methoxybenzyloxy)-7-methoxyheptyl]-2-[(1R,2S,4S,5S)-1,5-dihydroxy-2-(3,4-dimethoxybenzyloxy)-4-methoxy-8-decynyl]-1,3-dithiane
2-[(1R,2S,3S,4R,6R)-1,3-ジメチル-2,4-ジヒドロキシ-6-(4-メトキシベンジルオキシ)-7-メトキシヘプチル]-2-[(1R,2S,4S,5S)-1,5-ジヒドロキシ-2-(3,4-ジメトキシベンジルオキシ)-4-メトキシ-8-デシニル]-1,3-ジチアン
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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:
C42 H64 O11 S2
Molecular formula furigana:
C42-H64-O11-S2
Molecular weight:
809.080
InChI:
InChI=1S/C42H64O11S2/c1-9-10-11-13-34(43)37(50-7)24-39(53-26-31-16-19-36(49-6)38(22-31)51-8)41(46)42(54-20-12-21-55-42)29(3)40(45)28(2)35(44)23-33(27-47-4)52-25-30-14-17-32(48-5)18-15-30/h14-19,22,28-29,33-35,37,39-41,43-46H,11-13,20-21,23-27H2,1-8H3/t28-,29+,33+,34-,35+,37-,39-,40-,41+/m0/s1
InChI key:
UQWWCZNCFVARNM-DXXGQGPJSA-N
SMILES:
COC[C@@H](C[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)C1(SCCCS1)[C@H](O)[C@H](C[C@H](OC)[C@@H](O)CCC#CC)OCc1ccc(OC)c(OC)c1)OCc1ccc(OC)cc1
Systematic name (3):
2-[(1R,2S,3S,4R,6R)-1,3-ジメチル-2,4-ジヒドロキシ-6-(4-メトキシベンジルオキシ)-7-メトキシヘプチル]-2-[(1R,2S,4S,5S)-1,5-ジヒドロキシ-2-(3,4-ジメトキシベンジルオキシ)-4-メトキシ-8-デシニル]-1,3-ジチアン
(1R,2S,4S,5S)-1-{2-[(2R,3S,4S,5R,7R)-3,5-ジヒドロキシ-8-メトキシ-7-[(4-メトキシフェニル)メトキシ]-4-メチルオクタン-2-イル]-1,3-ジチアン-2-イル}-2-[(3,4-ジメトキシフェニル)メトキシ]-4-メトキシデカ-8-イン-1,5-ジオール
(1R,2S,4S,5S)-1-{2-[(2R,3S,4S,5R,7R)-3,5-dihydroxy-8-methoxy-7-[(4-methoxyphenyl)methoxy]-4-methyloctan-2-yl]-1,3-dithian-2-yl}-2-[(3,4-dimethoxyphenyl)methoxy]-4-methoxydec-8-yne-1,5-diol
Other name (1):
2-[(1R,2S,3S,4R,6R)-1,3-Dimethyl-2,4-dihydroxy-6-(4-methoxybenzyloxy)-7-methoxyheptyl]-2-[(1R,2S,4S,5S)-1,5-dihydroxy-2-(3,4-dimethoxybenzyloxy)-4-methoxy-8-decynyl]-1,3-dithiane
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