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

CAS Registry Number®

137682-21-4

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-6-deoxy-α-L-mannopyranosyl-(1→4)-6-deoxy-α-L-mannopyranosyl-(1→4)]-O-β-D-glucopyranosyl-(1→4)-

Molecular Formula

C60H98O26

Molecular Mass

1235.40

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-6-deoxy-α-L-mannopyranosyl-(1→4)-6-deoxy-α-L-mannopyranosyl-(1→4)]-O-β-D-glucopyranosyl-(1→4)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=137682-21-4 (retrieved 2024-11-22) (CAS RN: 137682-21-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C60H98O26/c1-23-32(63)34(65)38(69)49(77-23)82-43-25(3)79-51(40(71)36(43)67)83-44-26(21-61)80-53(46(42(44)73)85-50-39(70)35(66)33(64)24(2)78-50)84-45-37(68)41(72)52(86-47(45)48(74)75)81-31-13-14-56(8)27(55(31,6)7)11-15-57(9)28(56)12-16-60-29-19-54(4,5)17-18-59(29,22-76-60)30(62)20-58(57,60)10/h23-47,49-53,61-73H,11-22H2,1-10H3,(H,74,75)

InChIKey

InChIKey=RMUWNPZTNRLPJQ-UHFFFAOYSA-N

SMILES

CC12C3(C4C(CO3)(C(O)C1)CCC(C)(C)C4)CCC5C2(C)CCC6C5(C)CCC(OC7OC(C(O)=O)C(OC8C(OC9C(O)C(O)C(O)C(C)O9)C(O)C(OC%10C(O)C(O)C(OC%11C(O)C(O)C(O)C(C)O%11)C(C)O%10)C(CO)O8)C(O)C7O)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(O)C(O)C1OC8OC(CO)C(OC9OC(C)C(OC%10OC(C)C(O)C(O)C%10O)C(O)C9O)C(O)C8OC%11OC(C)C(O)C(O)C%11O

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-6-deoxy-α-L-mannopyranosyl-(1→4)-6-deoxy-α-L-mannopyranosyl-(1→4)]-O-β-D-glucopyranosyl-(1→4)-
  • Oleanane, β-D-glucopyranosiduronic acid deriv.
  • 2H,5H-14a,4a-(Epoxymethano)picene, β-D-glucopyranosiduronic acid deriv.

CAS INSIGHTSTM
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