β-D-Glucopyranosiduronic acid, (3β,16α,18α)-13,28-epoxy-16-hydroxyoleanan-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[O-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)]-

CAS Registry Number®

137682-20-3

CAS Name

β-D-Glucopyranosiduronic acid, (3β,16α,18α)-13,28-epoxy-16-hydroxyoleanan-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[O-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)]-

Molecular Formula

C54H88O23

Molecular Mass

1105.26

Cite this Page

β-D-Glucopyranosiduronic acid, (3β,16α,18α)-13,28-epoxy-16-hydroxyoleanan-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[O-β-D-glucopyranosyl-(1→3)-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=137682-20-3 (retrieved 2024-11-22) (CAS RN: 137682-20-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C54H88O23/c1-22-30(58)33(61)35(63)44(70-22)76-41-37(65)40(75-46-38(66)39(32(60)24(20-56)72-46)74-45-36(64)34(62)31(59)23(19-55)71-45)42(43(67)68)77-47(41)73-29-11-12-50(6)25(49(29,4)5)9-13-51(7)26(50)10-14-54-27-17-48(2,3)15-16-53(27,21-69-54)28(57)18-52(51,54)8/h22-42,44-47,55-66H,9-21H2,1-8H3,(H,67,68)

InChIKey

InChIKey=MXYQIKBBUBAAAZ-UHFFFAOYSA-N

SMILES

CC12C3(C4C(CO3)(C(O)C1)CCC(C)(C)C4)CCC5C2(C)CCC6C5(C)CCC(OC7C(OC8C(O)C(O)C(O)C(C)O8)C(O)C(OC9C(O)C(OC%10OC(CO)C(O)C(O)C%10O)C(O)C(CO)O9)C(C(O)=O)O7)C6(C)C

Canonical SMILES

O=C(O)C1OC(OC2CCC3(C)C(CCC4(C)C3CCC56OCC7(CCC(C)(C)CC57)C(O)CC64C)C2(C)C)C(OC8OC(C)C(O)C(O)C8O)C(O)C1OC9OC(CO)C(O)C(OC%10OC(CO)C(O)C(O)C%10O)C9O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β,16α,18α)-13,28-epoxy-16-hydroxyoleanan-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[O-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)]-
  • Oleanane, β-D-glucopyranosiduronic acid deriv.
  • 2H,5H-14a,4a-(Epoxymethano)picene, β-D-glucopyranosiduronic acid deriv.

CAS INSIGHTSTM
Targeted protein degrader structure, illustration