28-O-β-D-Glucopyranosyl pomolic acid

CAS Registry Number®

83725-24-0
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CAS Name

28-O-β-D-Glucopyranosyl pomolic acid

Molecular Formula

C36H58O9

Molecular Mass

634.84

Cite this Page

28-O-β-D-Glucopyranosyl pomolic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=83725-24-0 (retrieved 2024-05-02) (CAS RN: 83725-24-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C36H58O9/c1-19-10-15-36(30(42)45-29-27(41)26(40)25(39)21(18-37)44-29)17-16-33(5)20(28(36)35(19,7)43)8-9-23-32(4)13-12-24(38)31(2,3)22(32)11-14-34(23,33)6/h8,19,21-29,37-41,43H,9-18H2,1-7H3/t19-,21-,22+,23-,24+,25-,26+,27-,28-,29+,32+,33-,34-,35-,36+/m1/s1

InChIKey

InChIKey=RRIMLWHUVCZACL-HPUCWRFUSA-N

SMILES

C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)(=O)[C@]23[C@](C=4[C@@](C)(CC2)[C@@]5(C)[C@](CC4)([C@]6(C)[C@@](CC5)(C(C)(C)[C@@H](O)CC6)[H])[H])([C@](C)(O)[C@H](C)CC3)[H]

Canonical SMILES

O=C(OC1OC(CO)C(O)C(O)C1O)C23CCC(C)C(O)(C)C3C4=CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2

Other Names for this Substance

  • Urs-12-en-28-oic acid, 3,19-dihydroxy-, β-D-glucopyranosyl ester, (3β)-
  • Pomolic acid β-D-glucopyranosyl ester
  • Pomolic acid, 28-O-β-D-Glucopyranosyl ester
  • 28-O-β-D-Glucopyranosyl pomolic acid

Deleted or Replaced CAS Registry Numbers

142279-38-7

CAS INSIGHTSTM
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