Chem
J-GLOBAL ID：200907017152728042   Nikkaji number：J2.196.295C

(2R,3R,4R,5S,6S)-2,4,6-Trimethyl-3-(4-methoxybenzyloxy)-5-(methoxymethoxy)-8-[(2S)-4α-methoxy-6α-methyltetrahydro-2H-pyran-2β-yl]octanal

(2R,3R,4R,5S,6S)-8-[(2S,4R,6S)-4-メトキシ-6-メチルオキサン-2-イル]-5-(メトキシメトキシ)-3-[(4-メトキシフェニル)メトキシ]-2,4,6-トリメチルオクタナール
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： C28H46O7
Molecular formula furigana： C28-H46-O7
Molecular weight： 494.669
InChI： InChI=1S/C28H46O7/c1-19(8-11-25-15-26(32-7)14-21(3)35-25)27(34-18-30-5)22(4)28(20(2)16-29)33-17-23-9-12-24(31-6)13-10-23/h9-10,12-13,16,19-22,25-28H,8,11,14-15,17-18H2,1-7H3/t19-,20-,21-,22-,25-,26+,27-,28-/m0/s1
InChI key： CLGMFDRXZDDDQN-JAHMOGMCSA-N
SMILES： COCO[C@@H]([C@@H](C)CC[C@H]1C[C@@H](C[C@H](C)O1)OC)[C@H](C)[C@@H](OCc1ccc(OC)cc1)[C@@H](C)C=O
Systematic name  (3)：
  • (2R,3R,4R,5S,6S)-2,4,6-トリメチル-3-(4-メトキシベンジルオキシ)-5-(メトキシメトキシ)-8-[(2S)-4α-メトキシ-6α-メチルテトラヒドロ-2H-ピラン-2β-イル]オクタナール
  • (2R,3R,4R,5S,6S)-8-[(2S,4R,6S)-4-メトキシ-6-メチルオキサン-2-イル]-5-(メトキシメトキシ)-3-[(4-メトキシフェニル)メトキシ]-2,4,6-トリメチルオクタナール
  • (2R,3R,4R,5S,6S)-8-[(2S,4R,6S)-4-methoxy-6-methyloxan-2-yl]-5-(methoxymethoxy)-3-[(4-methoxyphenyl)methoxy]-2,4,6-trimethyloctanal
Other name (1)：
  • (2R,3R,4R,5S,6S)-2,4,6-Trimethyl-3-(4-methoxybenzyloxy)-5-(methoxymethoxy)-8-[(2S)-4α-methoxy-6α-methyltetrahydro-2H-pyran-2β-yl]octanal
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