β-D-Glucopyranosiduronic acid, (3β,20α)-30-[(2-O-α-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-30-oxoolean-12-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[6-deoxy-α-L-mannopyranosyl-(1→4)]-O-β-D-glucopyranosyl-(1→2)-
CAS Registry Number®
CAS Name
β-D-Glucopyranosiduronic acid, (3β,20α)-30-[(2-O-α-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-30-oxoolean-12-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[6-deoxy-α-L-mannopyranosyl-(1→4)]-O-β-D-glucopyranosyl-(1→2)-Molecular Formula
C66H106O32Molecular Mass
1411.53Cite this Page
β-D-Glucopyranosiduronic acid, (3β,20α)-30-[(2-O-α-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-30-oxoolean-12-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[6-deoxy-α-L-mannopyranosyl-(1→4)]-O-β-D-glucopyranosyl-(1→2)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=107110-04-3 (retrieved ) (CAS RN: 107110-04-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C66H106O32/c1-24-34(70)38(74)44(80)54(87-24)93-48-30(23-69)91-57(52(47(48)83)96-55-45(81)39(75)35(71)25(2)88-55)97-51-43(79)42(78)49(53(84)85)94-59(51)92-33-13-14-64(7)31(61(33,3)4)12-15-66(9)32(64)11-10-26-27-20-63(6,17-16-62(27,5)18-19-65(26,66)8)60(86)98-58-50(41(77)37(73)29(22-68)90-58)95-56-46(82)40(76)36(72)28(21-67)89-56/h10,24-25,27-52,54-59,67-83H,11-23H2,1-9H3,(H,84,85)
InChIKey
InChIKey=IGTFYSDYGNVEHK-UHFFFAOYSA-N
SMILES
CC12C3(C)C(C4C(C)(CC3)CCC(C(OC5C(OC6OC(CO)C(O)C(O)C6O)C(O)C(O)C(CO)O5)=O)(C)C4)=CCC1C7(C)C(CC2)C(C)(C)C(OC8C(OC9C(OC%10C(O)C(O)C(O)C(C)O%10)C(O)C(OC%11C(O)C(O)C(O)C(C)O%11)C(CO)O9)C(O)C(O)C(C(O)=O)O8)CC7
Canonical SMILES
O=C(O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C5C6CC(C(=O)OC7OC(CO)C(O)C(O)C7OC8OC(CO)C(O)C(O)C8O)(C)CCC6(C)CCC54C)C2(C)C)C(OC9OC(CO)C(OC%10OC(C)C(O)C(O)C%10O)C(O)C9OC%11OC(C)C(O)C(O)C%11O)C(O)C1O
Other Names for this Substance
- β-D-Glucopyranosiduronic acid, (3β,20α)-30-[(2-O-α-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-30-oxoolean-12-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[6-deoxy-α-L-mannopyranosyl-(1→4)]-O-β-D-glucopyranosyl-(1→2)-
- Oleanane, β-D-glucopyranosiduronic acid deriv.