Cas no 230309-50-9 (b-D-Glucopyranosiduronic acid, (3b,16a,22a)-16,28-dihydroxy-22-[[(2Z)-2-methyl-1-oxo-2-butenyl]oxy]olean-12-en-3-ylO-6-deoxy-a-L-mannopyranosyl-(1®2)-O-6-deoxy-a-L-mannopyranosyl-(1®2)-O-b-D-galactopyranosyl-(1®3)-O-[b-D-glucopyranosyl-(1®2)]- (9CI))

b-D-Glucopyranosiduronic acid, (3b,16a,22a)-16,28-dihydroxy-22-[[(2Z)-2-methyl-1-oxo-2-butenyl]oxy]olean-12-en-3-ylO-6-deoxy-a-L-mannopyranosyl-(1®2)-O-6-deoxy-a-L-mannopyranosyl-(1®2)-O-b-D-galactopyranosyl-(1®3)-O-[b-D-glucopyranosyl-(1®2)]- (9CI) structure
230309-50-9 structure
Product Name:b-D-Glucopyranosiduronic acid, (3b,16a,22a)-16,28-dihydroxy-22-[[(2Z)-2-methyl-1-oxo-2-butenyl]oxy]olean-12-en-3-ylO-6-deoxy-a-L-mannopyranosyl-(1®2)-O-6-deoxy-a-L-mannopyranosyl-(1®2)-O-b-D-galactopyranosyl-(1®3)-O-[b-D-glucopyranosyl-(1®2)]- (9CI)
CAS No:230309-50-9
MF:C65H104O29
MW:1349.50388431549
CID:285115
Update Time:2024-03-01

b-D-Glucopyranosiduronic acid, (3b,16a,22a)-16,28-dihydroxy-22-[[(2Z)-2-methyl-1-oxo-2-butenyl]oxy]olean-12-en-3-ylO-6-deoxy-a-L-mannopyranosyl-(1®2)-O-6-deoxy-a-L-mannopyranosyl-(1®2)-O-b-D-galactopyranosyl-(1®3)-O-[b-D-glucopyranosyl-(1®2)]- (9CI) Chemical and Physical Properties

Names and Identifiers

    • MaelaxinB
    • b-D-Glucopyranosiduronic acid, (3b,16a,22a)-16,28-dihydroxy-22-[[(2Z)-2-methyl-1-oxo-2-butenyl]oxy]olean-12-en-3-ylO-6-deoxy-
    • 2)]- (9CI)
    • 2)-O-6-deoxy-a-L-mannopyranosyl-(1&reg
    • 2)-O-b-D-galactopyranosyl-(1&reg
    • b-D-Glucopyranosiduronic acid, (3b,16a,22a)-16,28-dihydroxy-22-[[(2Z)-2-methyl-1-oxo-2-butenyl]oxy]olean-12-en-3-ylO-6-deoxy-a-L-mannopyranosyl-(1&reg
    • β-D-Glucopyranosiduronic acid, (3β,16α,22α)-16,28-dihydroxy-22-[[(2Z)-2-methyl-1-oxo-2-butenyl]oxy]olean-12-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-β-D-galactopyranosyl-(1→3)-O-[β-D-glucopyranosyl-(1→2)]- (9CI)
    • (-)-Maelaxin A
    • Maelaxin B
    • (-)-Maelaxin B
    • b-D-Glucopyranosiduronic acid, (3b,16a,22a)-16,28-dihydroxy-22-[[(2Z)-2-methyl-1-oxo-2-butenyl]oxy]olean-12-en-3-ylO-6-deoxy-a-L-mannopyranosyl-(1®2)-O-6-deoxy-a-L-mannopyranosyl-(1®2)-O-b-D-galactopyranosyl-(1®3)-O-[b-D-glucopyranosyl-(1®2)]- (9CI)
    • Inchi: 1S/C65H104O29/c1-12-25(2)54(83)88-36-21-60(5,6)19-29-28-13-14-33-62(9)17-16-35(61(7,8)32(62)15-18-63(33,10)64(28,11)20-34(69)65(29,36)24-68)89-59-52(94-56-46(79)42(75)39(72)30(22-66)86-56)48(47(80)49(91-59)53(81)82)90-58-51(44(77)40(73)31(23-67)87-58)93-57-50(43(76)38(71)27(4)85-57)92-55-45(78)41(74)37(70)26(3)84-55/h12-13,26-27,29-52,55-59,66-80H,14-24H2,1-11H3,(H,81,82)
    • InChI Key: UQBYDYIYFPALPT-UHFFFAOYSA-N
    • SMILES: CC=C(C(OC1C2(C(C3C(CC2O)(C)C2(C(C4(C(CC2)C(C)(C)C(OC2C(OC5C(O)C(O)C(O)C(CO)O5)C(OC5C(OC6C(OC7C(O)C(O)C(O)C(C)O7)C(O)C(O)C(C)O6)C(O)C(O)C(CO)O5)C(O)C(C(=O)O)O2)CC4)C)CC=3)C)CC(C)(C)C1)CO)=O)C

Computed Properties

  • Hydrogen Bond Donor Count: 16
  • Hydrogen Bond Acceptor Count: 29
  • Heavy Atom Count: 94
  • XLogP3: 2.928

b-D-Glucopyranosiduronic acid, (3b,16a,22a)-16,28-dihydroxy-22-[[(2Z)-2-methyl-1-oxo-2-butenyl]oxy]olean-12-en-3-ylO-6-deoxy-a-L-mannopyranosyl-(1®2)-O-6-deoxy-a-L-mannopyranosyl-(1®2)-O-b-D-galactopyranosyl-(1®3)-O-[b-D-glucopyranosyl-(1®2)]- (9CI) Related Literature

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