Chem
J-GLOBAL ID：200907005936431609   Nikkaji number：J1.159.771H

(2S)-2α-(Iodomethyl)-3β-(4-methoxybenzyloxy)-4α-(benzyloxy)-3,4,4aα,6,9,9aβ-hexahydro-2H-pyrano[3,2-b]oxepin

(2S)-2α-(ヨードメチル)-3β-(4-メトキシベンジルオキシ)-4α-(ベンジルオキシ)-3,4,4aα,6,9,9aβ-ヘキサヒドロ-2H-ピラノ[3,2-b]オキセピン
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： C25H29IO5
Molecular formula furigana： C25-H29-I-O5
Molecular weight： 536.406
InChI： InChI=1S/C25H29IO5/c1-27-20-12-10-19(11-13-20)17-29-24-22(15-26)31-21-9-5-6-14-28-23(21)25(24)30-16-18-7-3-2-4-8-18/h2-8,10-13,21-25H,9,14-17H2,1H3/t21-,22+,23-,24+,25+/m0/s1
InChI key： KOILBBGIMWZHRM-HNRDJRCMSA-N
SMILES： COc1ccc(CO[C@@H]2[C@@H](CI)O[C@H]3CC=CCO[C@@H]3[C@H]2OCc2ccccc2)cc1
Systematic name  (3)：
  • (2S)-2α-(ヨードメチル)-3β-(4-メトキシベンジルオキシ)-4α-(ベンジルオキシ)-3,4,4aα,6,9,9aβ-ヘキサヒドロ-2H-ピラノ[3,2-b]オキセピン
  • (2S,3S,4R,4aS,9aS)-4-(ベンジルオキシ)-2-(ヨードメチル)-3-[(4-メトキシフェニル)メトキシ]-2H,3H,4H,4aH,6H,9H,9aH-ピラノ[3,2-b]オキセピン
  • (2S,3S,4R,4aS,9aS)-4-(benzyloxy)-2-(iodomethyl)-3-[(4-methoxyphenyl)methoxy]-2H,3H,4H,4aH,6H,9H,9aH-pyrano[3,2-b]oxepine
Other name (1)：
  • (2S)-2α-(Iodomethyl)-3β-(4-methoxybenzyloxy)-4α-(benzyloxy)-3,4,4aα,6,9,9aβ-hexahydro-2H-pyrano[3,2-b]oxepin
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