Cas no 57092-40-7 (Olean-12-en-28-oic acid, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-α-L-arabinopyranosyl)oxy]-23-hydroxy-, O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→6)-O-[O-β-D-glucopyranosyl-(1→2)-α-L-arabinopyranosyl-(1→2)]-β-D-glucopyranosyl ester, (3β,4α)- (9CI))

Olean-12-en-28-oic acid, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-α-L-arabinopyranosyl)oxy]-23-hydroxy-, O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→6)-O-[O-β-D-glucopyranosyl-(1→2)-α-L-arabinopyranosyl-(1→2)]-β-D-glucopyranosyl ester, (3β,4α)- (9CI) structure
57092-40-7 structure
Product Name:Olean-12-en-28-oic acid, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-α-L-arabinopyranosyl)oxy]-23-hydroxy-, O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→6)-O-[O-β-D-glucopyranosyl-(1→2)-α-L-arabinopyranosyl-(1→2)]-β-D-glucopyranosyl ester, (3β,4α)- (9CI)
CAS No:57092-40-7
MF:C76H124O39
MW:1661.77438926697
CID:2681521
Update Time:2024-03-01

Olean-12-en-28-oic acid, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-α-L-arabinopyranosyl)oxy]-23-hydroxy-, O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→6)-O-[O-β-D-glucopyranosyl-(1→2)-α-L-arabinopyranosyl-(1→2)]-β-D-glucopyranosyl ester, (3β,4α)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Olean-12-en-28-oic acid, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-α-L-arabinopyranosyl)oxy]-23-hydroxy-, O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→6)-O-[O-β-D-glucopyranosyl-(1→2)-α-L-arabinopyranosyl-(1→2)]-β-D-glucopyranosyl ester, (3β,4α)- (9CI)
    • Inchi： 1S/C76H124O39/c1-27-40(82)46(88)52(94)63(103-27)110-57-29(3)105-65(56(98)50(57)92)112-59-42(84)32(80)23-100-67(59)109-39-13-14-72(6)37(73(39,7)26-79)12-15-75(9)38(72)11-10-30-31-20-71(4,5)16-18-76(31,19-17-74(30,75)8)70(99)115-69-61(114-68-60(43(85)33(81)24-101-68)113-66-54(96)48(90)44(86)34(21-77)106-66)49(91)45(87)36(108-69)25-102-62-55(97)51(93)58(35(22-78)107-62)111-64-53(95)47(89)41(83)28(2)104-64/h10,27-29,31-69,77-98H,11-26H2,1-9H3
    • InChI Key： YPPZNCHAPADHEU-UHFFFAOYSA-N
    • SMILES： CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(OC3C(OC4C(CO)(C)C5CCC6(C7(C(C8C(C(OC9C(OC%10C(OC%11C(O)C(O)C(O)C(CO)O%11)C(O)C(O)CO%10)C(O)C(O)C(COC%10C(O)C(O)C(OC%11C(O)C(O)C(O)C(C)O%11)C(CO)O%10)O9)=O)(CC7)CCC(C)(C)C8)=CCC6C5(C)CC4)C)C)OCC(O)C3O)OC2C)O1

Computed Properties

  • Hydrogen Bond Donor Count: 22
  • Hydrogen Bond Acceptor Count: 39
  • Heavy Atom Count: 115
  • XLogP3: -1.55

Olean-12-en-28-oic acid, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-α-L-arabinopyranosyl)oxy]-23-hydroxy-, O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→6)-O-[O-β-D-glucopyranosyl-(1→2)-α-L-arabinopyranosyl-(1→2)]-β-D-glucopyranosyl ester, (3β,4α)- (9CI) Related Literature

Related Categories

57092-40-7 (Olean-12-en-28-oic acid, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-α-L-arabinopyranosyl)oxy]-23-hydroxy-, O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→6)-O-[O-β-D-glucopyranosyl-(1→2)-α-L-arabinopyranosyl-(1→2)]-β-D-glucopyranosyl ester, (3β,4α)- (9CI)) Related Products

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