β-D-Glucopyranosiduronic acid, (3β)-17-carboxy-16,20-cyclo-28,30-dinorolean-12-en-3-yl 2-O-β-D-xylopyranosyl-

CAS Registry Number®

90745-17-8

CAS Name

β-D-Glucopyranosiduronic acid, (3β)-17-carboxy-16,20-cyclo-28,30-dinorolean-12-en-3-yl 2-O-β-D-xylopyranosyl-

Molecular Formula

C40H60O13

Molecular Mass

748.90

Cite this Page

β-D-Glucopyranosiduronic acid, (3β)-17-carboxy-16,20-cyclo-28,30-dinorolean-12-en-3-yl 2-O-β-D-xylopyranosyl-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=90745-17-8 (retrieved 2025-02-21) (CAS RN: 90745-17-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C40H60O13/c1-35(2)21-9-12-38(5)22(8-7-18-19-15-36(3)13-14-40(19,34(48)49)23(36)16-39(18,38)6)37(21,4)11-10-24(35)51-33-30(27(44)26(43)29(52-33)31(46)47)53-32-28(45)25(42)20(41)17-50-32/h7,19-30,32-33,41-45H,8-17H2,1-6H3,(H,46,47)(H,48,49)

InChIKey

InChIKey=BXKCSGRUPJSGIF-UHFFFAOYSA-N

SMILES

C(O)(=O)C12C3C=4C(C)(CC1C(C)(C3)CC2)C5(C)C(CC4)C6(C)C(CC5)C(C)(C)C(OC7C(OC8C(O)C(O)C(O)CO8)C(O)C(O)C(C(O)=O)O7)CC6

Canonical SMILES

O=C(O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C5C6CC7(C)CCC6(C(=O)O)C7CC54C)C2(C)C)C(OC8OCC(O)C(O)C8O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β)-17-carboxy-16,20-cyclo-28,30-dinorolean-12-en-3-yl 2-O-β-D-xylopyranosyl-
  • 7,10-Methano-1H-cyclopenta[b]chrysene, β-D-glucopyranosiduronic acid deriv.
  • 16,20-Cyclo-28,30-dinoroleanane, β-D-glucopyranosiduronic acid deriv.
  • Pfaffoside A

CAS INSIGHTSTM
Samples on a microarray, illustration