3-O-Acetyl-β-D-glucopyranosyl (3β)-3-(β-L-arabinopyranosyloxy)urs-12-en-28-oate

CAS Registry Number®

33055-20-8

CAS Name

3-O-Acetyl-β-D-glucopyranosyl (3β)-3-(β-L-arabinopyranosyloxy)urs-12-en-28-oate

Molecular Formula

C43H68O13

Molecular Mass

792.99

Cite this Page

3-O-Acetyl-β-D-glucopyranosyl (3β)-3-(β-L-arabinopyranosyloxy)urs-12-en-28-oate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=33055-20-8 (retrieved 2024-11-22) (CAS RN: 33055-20-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C43H68O13/c1-21-11-16-43(38(51)56-37-34(50)35(53-23(3)45)32(48)26(19-44)54-37)18-17-41(7)24(30(43)22(21)2)9-10-28-40(6)14-13-29(39(4,5)27(40)12-15-42(28,41)8)55-36-33(49)31(47)25(46)20-52-36/h9,21-22,25-37,44,46-50H,10-20H2,1-8H3

InChIKey

InChIKey=SWZMTTVYUGMJST-UHFFFAOYSA-N

SMILES

C(OC1C(O)C(OC(C)=O)C(O)C(CO)O1)(=O)C23C(C=4C(C)(CC2)C5(C)C(CC4)C6(C)C(CC5)C(C)(C)C(OC7C(O)C(O)C(O)CO7)CC6)C(C)C(C)CC3

Canonical SMILES

O=C(OC1C(O)C(OC(=O)C23CCC(C)C(C)C3C4=CCC5C6(C)CCC(OC7OCC(O)C(O)C7O)C(C)(C)C6CCC5(C)C4(C)CC2)OC(CO)C1O)C

Other Names for this Substance

  • Urs-12-en-28-oic acid, 3-(β-L-arabinopyranosyloxy)-, 3-O-acetyl-β-D-glucopyranosyl ester, (3β)-
  • Sanguisorbin E
  • 3-O-Acetyl-β-D-glucopyranosyl (3β)-3-(β-L-arabinopyranosyloxy)urs-12-en-28-oate

CAS INSIGHTSTM
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