Gypsoside

CAS Registry Number®

15588-68-8

CAS Name

Gypsoside

Molecular Formula

C80H126O44

Molecular Mass

1791.83

Cite this Page

Gypsoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=15588-68-8 (retrieved 2024-11-12) (CAS RN: 15588-68-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C80H126O44/c1-27-40(88)58(118-65-48(96)41(89)31(84)22-107-65)54(102)70(111-27)116-56-28(2)112-73(61(53(56)101)121-72-60(44(92)34(87)25-110-72)120-67-50(98)43(91)33(86)24-109-67)124-74(106)80-17-15-75(3,4)19-30(80)29-9-10-38-76(5)13-12-39(77(6,26-83)37(76)11-14-79(38,8)78(29,7)16-18-80)115-71-55(103)59(119-66-49(97)42(90)32(85)23-108-66)62(63(123-71)64(104)105)122-69-52(100)47(95)57(36(21-82)114-69)117-68-51(99)46(94)45(93)35(20-81)113-68/h9,26-28,30-63,65-73,81-82,84-103H,10-25H2,1-8H3,(H,104,105)

InChIKey

InChIKey=LAHSXXNOJMWHBH-UHFFFAOYSA-N

SMILES

C(OC1C(OC2C(OC3C(O)C(O)C(O)CO3)C(O)C(O)CO2)C(O)C(OC4C(O)C(OC5C(O)C(O)C(O)CO5)C(O)C(C)O4)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(O)C(O)C(O)CO%12)C(OC%13OC(CO)C(OC%14OC(CO)C(O)C(O)C%14O)C(O)C%13O)C(C(O)=O)O%11)CC%10)CC(C)(C)CC7

Canonical SMILES

O=CC1(C)C(OC2OC(C(=O)O)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(OC5OCC(O)C(O)C5O)C2O)CCC6(C)C1CCC7(C)C6CC=C8C9CC(C)(C)CCC9(C(=O)OC%10OC(C)C(OC%11OC(C)C(O)C(OC%12OCC(O)C(O)C%12O)C%11O)C(O)C%10OC%13OCC(O)C(O)C%13OC%14OCC(O)C(O)C%14O)CCC87C

Other Names for this Substance

  • D-Glucopyranosiduronic acid, (3β,4α)-23,28-dioxo-28-[(O-D-xylopyranosyl-(1→3)-O-6-deoxy-D-galactopyranosyl-(1→4)-O-[O-D-xylopyranosyl-(1→3)-D-xylopyranosyl-(1→2)]-6-deoxy-L-mannopyranosyl)oxy]olean-12-en-3-yl O-L-arabinopyranosyl-(1→3)-O-[O-D-galactopyranosyl-(1→4)-D-glucopyranosyl-(1→4)]-
  • Olean-12-en-28-oic acid, 3β-[[O-L-arabinopyranosyl-(1→3)-O-[O-D-galactopyranosyl-(1→4)-D-glucopyranosyl-(1→4)]-D-glucopyranuronosyl]oxy]-23-oxo-, O-D-xylopyranosyl-(1→3)-O-6-deoxy-D-galactopyranosyl-(1→4)-O-[O-D-xylopyranosyl-(1→3)-D-xylopyranosyl-(1→2)]-6-deoxy-L-mannopyranosyl ester
  • Gypsoside
  • (3β,4α)-23,28-Dioxo-28-[(O-D-xylopyranosyl-(1→3)-O-6-deoxy-D-galactopyranosyl-(1→4)-O-[O-D-xylopyranosyl-(1→3)-D-xylopyranosyl-(1→2)]-6-deoxy-L-mannopyranosyl)oxy]olean-12-en-3-yl O-L-arabinopyranosyl-(1→3)-O-[O-D-galactopyranosyl-(1→4)-D-glucopyranosyl-(1→4)]-D-glucopyranosiduronic acid
  • Gipsoside

Deleted or Replaced CAS Registry Numbers

55818-92-3, 890044-16-3

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles