Urs-12-en-28-oic acid, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-α-L-arabinopyranosyl)oxy]-, β-D-glucopyranosyl ester, (3β)-

CAS Registry Number®

164178-27-2

CAS Name

Urs-12-en-28-oic acid, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-α-L-arabinopyranosyl)oxy]-, β-D-glucopyranosyl ester, (3β)-

Molecular Formula

C53H86O21

Molecular Mass

1059.24

Cite this Page

Urs-12-en-28-oic acid, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-α-L-arabinopyranosyl)oxy]-, β-D-glucopyranosyl ester, (3β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=164178-27-2 (retrieved 2024-11-24) (CAS RN: 164178-27-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C53H86O21/c1-22-11-16-53(48(66)74-46-41(65)38(62)35(59)28(20-55)70-46)18-17-51(7)25(32(53)23(22)2)9-10-30-50(6)14-13-31(49(4,5)29(50)12-15-52(30,51)8)71-47-43(73-44-39(63)36(60)33(57)24(3)68-44)42(26(56)21-67-47)72-45-40(64)37(61)34(58)27(19-54)69-45/h9,22-24,26-47,54-65H,10-21H2,1-8H3

InChIKey

InChIKey=ZGNBKNDOCCHRSM-UHFFFAOYSA-N

SMILES

C(OC1OC(CO)C(O)C(O)C1O)(=O)C23C(C=4C(C)(CC2)C5(C)C(CC4)C6(C)C(CC5)C(C)(C)C(OC7C(OC8C(O)C(O)C(O)C(C)O8)C(OC9OC(CO)C(O)C(O)C9O)C(O)CO7)CC6)C(C)C(C)CC3

Canonical SMILES

O=C(OC1OC(CO)C(O)C(O)C1O)C23CCC(C)C(C)C3C4=CCC5C6(C)CCC(OC7OCC(O)C(OC8OC(CO)C(O)C(O)C8O)C7OC9OC(C)C(O)C(O)C9O)C(C)(C)C6CCC5(C)C4(C)CC2

Other Names for this Substance

  • Urs-12-en-28-oic acid, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-α-L-arabinopyranosyl)oxy]-, β-D-glucopyranosyl ester, (3β)-
  • Matesaponin 2

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