β-D-Glucopyranosyl (3β)-3-(α-L-arabinopyranosyloxy)ursa-12,19(29)-dien-28-oate

CAS Registry Number®

356785-72-3

CAS Name

β-D-Glucopyranosyl (3β)-3-(α-L-arabinopyranosyloxy)ursa-12,19(29)-dien-28-oate

Molecular Formula

C41H64O12

Molecular Mass

748.94

Cite this Page

β-D-Glucopyranosyl (3β)-3-(α-L-arabinopyranosyloxy)ursa-12,19(29)-dien-28-oate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=356785-72-3 (retrieved 2025-02-19) (CAS RN: 356785-72-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C41H64O12/c1-20-10-15-41(36(49)53-35-33(48)31(46)30(45)24(18-42)51-35)17-16-39(6)22(28(41)21(20)2)8-9-26-38(5)13-12-27(37(3,4)25(38)11-14-40(26,39)7)52-34-32(47)29(44)23(43)19-50-34/h8,20,23-35,42-48H,2,9-19H2,1,3-7H3/t20-,23+,24-,25+,26-,27+,28+,29+,30-,31+,32-,33-,34+,35+,38+,39-,40-,41+/m1/s1

InChIKey

InChIKey=TXWFEKCXGJREKU-LWQGPOSASA-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[C@H]7[C@H](O)[C@@H](O)[C@@H](O)CO7)CC6)[H])[H])(C(=C)[C@H](C)CC3)[H]

Canonical SMILES

O=C(OC1OC(CO)C(O)C(O)C1O)C23CCC(C(=C)C3C4=CCC5C6(C)CCC(OC7OCC(O)C(O)C7O)C(C)(C)C6CCC5(C)C4(C)CC2)C

Other Names for this Substance

  • Ursa-12,19(29)-dien-28-oic acid, 3-(α-L-arabinopyranosyloxy)-, β-D-glucopyranosyl ester, (3β)-
  • β-D-Glucopyranosyl (3β)-3-(α-L-arabinopyranosyloxy)ursa-12,19(29)-dien-28-oate