β-D-Glucopyranosiduronic acid, (3β)-18-hydroxy-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→3)]-

CAS Registry Number®

96827-23-5

CAS Name

β-D-Glucopyranosiduronic acid, (3β)-18-hydroxy-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→3)]-

Molecular Formula

C53H84O24

Molecular Mass

1105.22

Cite this Page

β-D-Glucopyranosiduronic acid, (3β)-18-hydroxy-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→3)]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=96827-23-5 (retrieved 2025-02-24) (CAS RN: 96827-23-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C53H84O24/c1-48(2)13-10-21-22(57)16-52(7)28(53(21,69)20-48)9-8-27-50(5)14-12-29(49(3,4)26(50)11-15-51(27,52)6)73-47-42(77-45-37(65)34(62)31(59)24(18-55)71-45)39(38(66)40(75-47)43(67)68)74-46-41(35(63)32(60)25(19-56)72-46)76-44-36(64)33(61)30(58)23(17-54)70-44/h9,21,23-27,29-42,44-47,54-56,58-66,69H,8,10-20H2,1-7H3,(H,67,68)

InChIKey

InChIKey=IILVEMAGCSQHDC-UHFFFAOYSA-N

SMILES

CC12C3(C)C(C4(C)C(CC3)C(C)(C)C(OC5C(OC6OC(CO)C(O)C(O)C6O)C(OC7C(OC8OC(CO)C(O)C(O)C8O)C(O)C(O)C(CO)O7)C(O)C(C(O)=O)O5)CC4)CC=C1C9(O)C(C(=O)C2)CCC(C)(C)C9

Canonical SMILES

O=C(O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C5C6(O)CC(C)(C)CCC6C(=O)CC54C)C2(C)C)C(OC7OC(CO)C(O)C(O)C7O)C(OC8OC(CO)C(O)C(O)C8OC9OC(CO)C(O)C(O)C9O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β)-18-hydroxy-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→3)]-
  • 28-Noroleanane, β-D-glucopyranosiduronic acid deriv.
  • Camellidin II

CAS INSIGHTSTM
Samples on a microarray, illustration