化学式

CAS号

77124-31-3

IUPAC Name

(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,10R,12aS,14aR,14bR)-9-乙酰氧基-4,8a-双(羟甲基)-4,6a,6b,11,11,14b-六甲基-10-[(E)-2-甲基-2-enoyl]氧基-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-基]氧基]-4-羟基-3,5-双[[(2S,3R,4S,5S,6R)-3,4,5-三羟基-6-(羟甲基)四氢吡喃-2-基]氧基]四 (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,10R,12aS,14aR,14bR)-9-acetyloxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid;2-acetyloxybenzoic acid;4-[2-(butylamino)-1-hydroxyethyl]phenol

InChI

InChI=1S/C55H86O23.C12H19NO2.C9H8O4/c1-10-24(2)46(70)78-43-44(71-25(3)60)55(23-59)18-17-53(8)26(27(55)19-50(43,4)5)11-12-31-51(6)15-14-32(52(7,22-58)30(51)13-16-54(31,53)9)74-49-41(76-48-38(66)36(64)34(62)29(21-57)73-48)39(67)40(42(77-49)45(68)69)75-47-37(65)35(63)33(61)28(20-56)72-47;1-2-3-8-13-9-12(15)10-4-6-11(14)7-5-10;1-6(10)13-8-5-3-2-4-7(8)9(11)12/h10-11,27-44,47-49,56-59,61-67H,12-23H2,1-9H3,(H,68,69);4-7,12-15H,2-3,8-9H2,1H3;2-5H,1H3,(H,11,12)/b24-10+;;/t27-,28+,29+,30+,31+,32-,33+,34+,35-,36-,37+,38+,39-,40-,41+,42-,43-,44-,47-,48-,49+,51-,52+,53+,54+,55-;;/m0../s1

InChI Key

OTNRAIHCWPKVKI-BZQZQLSBSA-N

Canonical SMILES

CCCCNCC(C1=CC=C(C=C1)O)O.CC=C(C)C(=O)OC1C(C2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)OC6C(C(C(C(O6)C(=O)O)OC7C(C(C(C(O7)CO)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C)C2CC1(C)C)C)CO)OC(=O)C.CC(=O)OC1=CC=CC=C1C(=O)O

别名

• Bayro vas
• Aspirin - bamethan - escin
• Aspririn - bamethan - escin
• Aspirin mixture with bamethan and escin
• Aspirin, bamethan, escin drug combination
• Aspririn, bamethan, escin drug combination
• 77124-31-3
• Benzoic acid, 2-(acetyloxy)-, mixt. with alpha-((butylamino)methyl)-4-hydroxybenzenemethanol and escin