Acarbose-1-phenylthiol Dodeca(p-methoxybenzyl Ether)

分析物名称

Acarbose-1-phenylthiol Dodeca(p-methoxybenzyl Ether)

分子式

C127 H143 N O29 S

分子量

2179.549

精确质量测定

2177.947

SMILES

COc1ccc(COCC2O[C@H](O[C@@H]3C(COCc4ccc(OC)cc4)O[C@@H](Sc5ccccc5)C(OCc6ccc(OC)cc6)C3OCc7ccc(OC)cc7)C(OCc8ccc(OC)cc8)C(OCc9ccc(OC)cc9)[C@@H]2O[C@H]%10O[C@H](C)[C@@H](N[C@H]%11C=C(COCc%12ccc(OC)cc%12)[C@H](OCc%13ccc(OC)cc%13)[C@H](OCc%14ccc(OC)cc%14)[C@H]%11OCc%15ccc(OC)cc%15)C(OCc%16ccc(OC)cc%16)C%10OCc%17ccc(OC)cc%17)cc1

InChI

InChI=1S/C127H143NO29S/c1-83-113(128-110-67-96(80-141-68-84-19-43-97(129-2)44-20-84)114(144-71-87-25-49-100(132-5)50-26-87)119(147-74-90-31-55-103(135-8)56-32-90)115(110)145-72-88-27-51-101(133-6)52-28-88)118(146-73-89-29-53-102(134-7)54-30-89)122(150-77-93-37-61-106(138-11)62-38-93)125(153-83)156-116-111(81-142-69-85-21-45-98(130-3)46-22-85)154-126(123(151-78-94-39-63-107(139-12)64-40-94)120(116)148-75-91-33-57-104(136-9)58-34-91)157-117-112(82-143-70-86-23-47-99(131-4)48-24-86)155-127(158-109-17-15-14-16-18-109)124(152-79-95-41-65-108(140-13)66-42-95)121(117)149-76-92-35-59-105(137-10)60-36-92/h14-67,83,110-128H,68-82H2,1-13H3/t83-,110+,111?,112?,113-,114+,115+,116-,117-,118?,119+,120?,121?,122?,123?,124?,125-,126-,127+/m1/s1

IUPAC

(2R,3R,6R)-6-[(3R,6R)-6-[(3R,6S)-4,5-bis[(4-methoxyphenyl)methoxy]-2-[(4-methoxyphenyl)methoxymethyl]-6-phenylsulfanyloxan-3-yl]oxy-4,5-bis[(4-methoxyphenyl)methoxy]-2-[(4-methoxyphenyl)methoxymethyl]oxan-3-yl]oxy-4,5-bis[(4-methoxyphenyl)methoxy]-2-methyl-N-[(1S,4S,5S,6S)-4,5,6-tris[(4-methoxyphenyl)methoxy]-3-[(4-methoxyphenyl)methoxymethyl]cyclohex-2-en-1-yl]oxan-3-amine

运输温度

Room Temperature

原产国

CANADA

产品形式

Neat