β-D-Glucopyranosiduronic acid, (3β,4β)-28-[(O-α-D-galactopyranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→2)]-O-β-D-xylopyranosyl-(1→3)-O-[6-deoxy-α-L-mannopyranosyl-(1→4)]-6-deoxy-β-D-galactopyranosyl)oxy]-23,28-dioxoolean-12-en-3-yl O-α-D-galactopyranosyl-(1→2)-O-[α-L-arabinopyranosyl-(1→4)]-O-β-D-xylopyranosyl-(1→3)-O-[6-deoxy-α-L-mannopyranosyl-(1→4)]-

CAS Registry Number®

29741-72-8

CAS Name

β-D-Glucopyranosiduronic acid, (3β,4β)-28-[(O-α-D-galactopyranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→2)]-O-β-D-xylopyranosyl-(1→3)-O-[6-deoxy-α-L-mannopyranosyl-(1→4)]-6-deoxy-β-D-galactopyranosyl)oxy]-23,28-dioxoolean-12-en-3-yl O-α-D-galactopyranosyl-(1→2)-O-[α-L-arabinopyranosyl-(1→4)]-O-β-D-xylopyranosyl-(1→3)-O-[6-deoxy-α-L-mannopyranosyl-(1→4)]-

Molecular Formula

C87H138O49

Molecular Mass

1968.00

Cite this Page

β-D-Glucopyranosiduronic acid, (3β,4β)-28-[(O-α-D-galactopyranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→2)]-O-β-D-xylopyranosyl-(1→3)-O-[6-deoxy-α-L-mannopyranosyl-(1→4)]-6-deoxy-β-D-galactopyranosyl)oxy]-23,28-dioxoolean-12-en-3-yl O-α-D-galactopyranosyl-(1→2)-O-[α-L-arabinopyranosyl-(1→4)]-O-β-D-xylopyranosyl-(1→3)-O-[6-deoxy-α-L-mannopyranosyl-(1→4)]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=29741-72-8 (retrieved 2024-11-24) (CAS RN: 29741-72-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C87H138O49/c1-28-42(93)50(101)56(107)72(120-28)129-63-30(3)122-77(61(112)64(63)130-79-67(133-76-60(111)54(105)47(98)36(23-90)125-76)49(100)38(26-119-79)127-74-58(109)52(103)45(96)34(21-88)123-74)136-81(116)87-18-16-82(4,5)20-32(87)31-10-11-40-83(6)14-13-41(84(7,27-91)39(83)12-15-86(40,9)85(31,8)17-19-87)128-78-62(113)65(68(69(135-78)70(114)115)134-73-57(108)51(102)43(94)29(2)121-73)131-80-66(132-75-59(110)53(104)46(97)35(22-89)124-75)48(99)37(25-118-80)126-71-55(106)44(95)33(92)24-117-71/h10,27-30,32-69,71-80,88-90,92-113H,11-26H2,1-9H3,(H,114,115)

InChIKey

InChIKey=DLWKOAQOSKLGRV-UHFFFAOYSA-N

SMILES

C(OC1C(O)C(OC2C(OC3OC(CO)C(O)C(O)C3O)C(O)C(OC4OC(CO)C(O)C(O)C4O)CO2)C(OC5C(O)C(O)C(O)C(C)O5)C(C)O1)(=O)C67C(C=8C(C)(CC6)C9(C)C(CC8)C%10(C)C(CC9)C(C=O)(C)C(OC%11C(O)C(OC%12C(OC%13OC(CO)C(O)C(O)C%13O)C(O)C(OC%14C(O)C(O)C(O)CO%14)CO%12)C(OC%15C(O)C(O)C(O)C(C)O%15)C(C(O)=O)O%11)CC%10)CC(C)(C)CC7

Canonical SMILES

O=CC1(C)C(OC2OC(C(=O)O)C(OC3OC(C)C(O)C(O)C3O)C(OC4OCC(OC5OCC(O)C(O)C5O)C(O)C4OC6OC(CO)C(O)C(O)C6O)C2O)CCC7(C)C1CCC8(C)C7CC=C9C%10CC(C)(C)CCC%10(C(=O)OC%11OC(C)C(OC%12OC(C)C(O)C(O)C%12O)C(OC%13OCC(OC%14OC(CO)C(O)C(O)C%14O)C(O)C%13OC%15OC(CO)C(O)C(O)C%15O)C%11O)CCC98C

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β,4β)-28-[(O-α-D-galactopyranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→2)]-O-β-D-xylopyranosyl-(1→3)-O-[6-deoxy-α-L-mannopyranosyl-(1→4)]-6-deoxy-β-D-galactopyranosyl)oxy]-23,28-dioxoolean-12-en-3-yl O-α-D-galactopyranosyl-(1→2)-O-[α-L-arabinopyranosyl-(1→4)]-O-β-D-xylopyranosyl-(1→3)-O-[6-deoxy-α-L-mannopyranosyl-(1→4)]-
  • Saponoside D
  • Oleanane, β-D-glucopyranosiduronic acid deriv.

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