Cas no 230309-60-1 (b-D-Glucopyranosiduronic acid, (3b,16a,22a)-16,28-dihydroxy-22-[[(2Z)-1-oxo-2-hexenyl]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-galactopyranosyl-(1®2)]- (9CI))

b-D-Glucopyranosiduronic acid, (3b,16a,22a)-16,28-dihydroxy-22-[[(2Z)-1-oxo-2-hexenyl]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-galactopyranosyl-(1®2)]- (9CI) structure
230309-60-1 structure
Product Name:b-D-Glucopyranosiduronic acid, (3b,16a,22a)-16,28-dihydroxy-22-[[(2Z)-1-oxo-2-hexenyl]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-galactopyranosyl-(1®2)]- (9CI)
CAS No:230309-60-1
MF:C66H106O29
MW:1363.5304646492
CID:285740
Update Time:2024-03-01

b-D-Glucopyranosiduronic acid, (3b,16a,22a)-16,28-dihydroxy-22-[[(2Z)-1-oxo-2-hexenyl]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-galactopyranosyl-(1®2)]- (9CI) Chemical and Physical Properties

Names and Identifiers

    • MaelaxinE
    • b-D-Glucopyranosiduronic acid, (3b,16a,22a)-16,28-dihydroxy-22-[[(2Z)-1-oxo-2-hexenyl]oxy]olean-12-en-3-ylO-6-deoxy-a-L-manno
    • 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)-1-oxo-2-hexenyl]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)-1-oxo-2-hexenyl]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-galactopyranosyl-(1→2)]- (9CI)
    • (-)-Maelaxin E
    • (-)-Maelaxin F
    • Maelaxin E
    • b-D-Glucopyranosiduronic acid, (3b,16a,22a)-16,28-dihydroxy-22-[[(2Z)-1-oxo-2-hexenyl]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-galactopyranosyl-(1®2)]- (9CI)
    • Inchi: 1S/C66H106O29/c1-11-12-13-14-38(71)89-37-23-61(4,5)21-30-29-15-16-34-63(8)19-18-36(62(6,7)33(63)17-20-64(34,9)65(29,10)22-35(70)66(30,37)26-69)90-60-54(95-57-48(81)44(77)41(74)31(24-67)87-57)50(49(82)51(92-60)55(83)84)91-59-53(46(79)42(75)32(25-68)88-59)94-58-52(45(78)40(73)28(3)86-58)93-56-47(80)43(76)39(72)27(2)85-56/h13-15,27-28,30-37,39-54,56-60,67-70,72-82H,11-12,16-26H2,1-10H3,(H,83,84)
    • InChI Key: VTFVSSYIOZSUPH-UHFFFAOYSA-N
    • SMILES: CCCC=CC(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

Computed Properties

  • Hydrogen Bond Donor Count: 16
  • Hydrogen Bond Acceptor Count: 29
  • Heavy Atom Count: 95
  • XLogP3: 3.78

b-D-Glucopyranosiduronic acid, (3b,16a,22a)-16,28-dihydroxy-22-[[(2Z)-1-oxo-2-hexenyl]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-galactopyranosyl-(1®2)]- (9CI) Related Literature

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