Azukisaponin VI

CAS Registry Number®

82801-39-6
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CAS Name

Azukisaponin VI

Molecular Formula

C54H86O25

Molecular Mass

1135.25

Cite this Page

Azukisaponin VI.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=82801-39-6 (retrieved 2024-09-20) (CAS RN: 82801-39-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C54H86O25/c1-49-13-14-50(2,48(71)79-46-40(68)35(63)32(60)26(75-46)20-72-44-38(66)33(61)30(58)24(18-55)73-44)17-23(49)22-7-8-28-51(3)11-10-29(52(4,21-57)27(51)9-12-54(28,6)53(22,5)16-15-49)76-47-42(37(65)36(64)41(77-47)43(69)70)78-45-39(67)34(62)31(59)25(19-56)74-45/h7,23-42,44-47,55-68H,8-21H2,1-6H3,(H,69,70)

InChIKey

InChIKey=YRJVEPWBEBAMTP-UHFFFAOYSA-N

SMILES

CC12C3(C)C(C4C(C)(CC3)CCC(C(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)=O)(C)C4)=CCC1C7(C)C(CC2)C(CO)(C)C(OC8C(OC9OC(CO)C(O)C(O)C9O)C(O)C(O)C(C(O)=O)O8)CC7

Canonical SMILES

O=C(O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C5C6CC(C(=O)OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O)(C)CCC6(C)CCC54C)C2(C)CO)C(OC9OC(CO)C(O)C(O)C9O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β,4β,20α)-29-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-23-hydroxy-29-oxoolean-12-en-3-yl 2-O-β-D-glucopyranosyl-
  • (3β,4β,20α)-29-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-23-hydroxy-29-oxoolean-12-en-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranosiduronic acid
  • Azukisaponin VI
  • Adzukisaponin VI

Deleted or Replaced CAS Registry Numbers

111567-28-3