β-D-Glucopyranosiduronic acid, (3β)-18-(acetyloxy)-16-oxo-28-norolean-12-en-3-yl O-β-D-galactopyranosyl-(1→2)-O-[O-β-D-glucopyranosyl-(1→2)-β-D-galactopyranosyl-(1→4)]-
CAS Registry Number®
96827-22-4
CAS Name
β-D-Glucopyranosiduronic acid, (3β)-18-(acetyloxy)-16-oxo-28-norolean-12-en-3-yl O-β-D-galactopyranosyl-(1→2)-O-[O-β-D-glucopyranosyl-(1→2)-β-D-galactopyranosyl-(1→4)]-Molecular Formula
C55H86O25Molecular Mass
1147.26Cite this Page
β-D-Glucopyranosiduronic acid, (3β)-18-(acetyloxy)-16-oxo-28-norolean-12-en-3-yl O-β-D-galactopyranosyl-(1→2)-O-[O-β-D-glucopyranosyl-(1→2)-β-D-galactopyranosyl-(1→4)]-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=96827-22-4 (retrieved ) (CAS RN: 96827-22-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C55H86O25/c1-22(59)80-55-21-50(2,3)14-11-23(55)24(60)17-54(8)30(55)10-9-29-52(6)15-13-31(51(4,5)28(52)12-16-53(29,54)7)75-49-43(78-47-39(68)36(65)33(62)26(19-57)73-47)40(69)41(44(79-49)45(70)71)76-48-42(37(66)34(63)27(20-58)74-48)77-46-38(67)35(64)32(61)25(18-56)72-46/h10,23,25-29,31-44,46-49,56-58,61-69H,9,11-21H2,1-8H3,(H,70,71)
InChIKey
InChIKey=TVDLDADJOJWXBX-UHFFFAOYSA-N
SMILES
O(C(C)=O)C12C=3C(C)(C4(C)C(CC3)C5(C)C(CC4)C(C)(C)C(OC6C(OC7OC(CO)C(O)C(O)C7O)C(O)C(OC8C(OC9OC(CO)C(O)C(O)C9O)C(O)C(O)C(CO)O8)C(C(O)=O)O6)CC5)CC(=O)C1CCC(C)(C)C2
Canonical SMILES
O=C(O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C5C6(OC(=O)C)CC(C)(C)CCC6C(=O)CC54C)C2(C)C)C(OC7OC(CO)C(O)C(O)C7O)C(O)C1OC8OC(CO)C(O)C(O)C8OC9OC(CO)C(O)C(O)C9O
Other Names for this Substance
- β-D-Glucopyranosiduronic acid, (3β)-18-(acetyloxy)-16-oxo-28-norolean-12-en-3-yl O-β-D-galactopyranosyl-(1→2)-O-[O-β-D-glucopyranosyl-(1→2)-β-D-galactopyranosyl-(1→4)]-
- 28-Noroleanane, β-D-glucopyranosiduronic acid deriv.
- Camellidin I
- Camellidin monoacetate
Deleted or Replaced CAS Registry Numbers
119253-75-7
