(3β)-3-(β-D-Xylofuranosyloxy)ursa-12,18-dien-28-oic acid

CAS Registry Number®

85344-31-6

CAS Name

(3β)-3-(β-D-Xylofuranosyloxy)ursa-12,18-dien-28-oic acid

Molecular Formula

C35H54O7

Molecular Mass

586.80

Cite this Page

(3β)-3-(β-D-Xylofuranosyloxy)ursa-12,18-dien-28-oic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=85344-31-6 (retrieved 2025-01-07) (CAS RN: 85344-31-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C35H54O7/c1-19-10-15-35(30(39)40)17-16-33(6)21(26(35)20(19)2)8-9-24-32(5)13-12-25(31(3,4)23(32)11-14-34(24,33)7)42-29-28(38)27(37)22(18-36)41-29/h8,19,22-25,27-29,36-38H,9-18H2,1-7H3,(H,39,40)

InChIKey

InChIKey=FHYVXROQJGJCKH-UHFFFAOYSA-N

SMILES

C(O)(=O)C12C(C=3C(C)(CC1)C4(C)C(CC3)C5(C)C(CC4)C(C)(C)C(OC6OC(CO)C(O)C6O)CC5)=C(C)C(C)CC2

Canonical SMILES

O=C(O)C12C(C3=CCC4C5(C)CCC(OC6OC(CO)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CC1)=C(C)C(C)CC2

Other Names for this Substance

  • Ursa-12,18-dien-28-oic acid, 3-(β-D-xylofuranosyloxy)-, (3β)-
  • (3β)-3-(β-D-Xylofuranosyloxy)ursa-12,18-dien-28-oic acid
  • Ilexolide A

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