6-O-β-D-Xylopyranosyl-β-D-glucopyranosyl (3β,16α)-3-[(2-O-β-D-glucopyranosyl-α-L-arabinopyranosyl)oxy]-16-hydroxyolean-12-en-28-oate

CAS Registry Number®

160955-43-1

CAS Name

6-O-β-D-Xylopyranosyl-β-D-glucopyranosyl (3β,16α)-3-[(2-O-β-D-glucopyranosyl-α-L-arabinopyranosyl)oxy]-16-hydroxyolean-12-en-28-oate

Molecular Formula

C52H84O22

Molecular Mass

1061.21

Cite this Page

6-O-β-D-Xylopyranosyl-β-D-glucopyranosyl (3β,16α)-3-[(2-O-β-D-glucopyranosyl-α-L-arabinopyranosyl)oxy]-16-hydroxyolean-12-en-28-oate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=160955-43-1 (retrieved 2024-12-23) (CAS RN: 160955-43-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C52H84O22/c1-47(2)14-15-52(46(66)74-44-40(65)37(62)35(60)27(71-44)21-69-42-38(63)32(57)24(54)19-67-42)23(16-47)22-8-9-29-49(5)12-11-31(48(3,4)28(49)10-13-50(29,6)51(22,7)17-30(52)56)72-45-41(33(58)25(55)20-68-45)73-43-39(64)36(61)34(59)26(18-53)70-43/h8,23-45,53-65H,9-21H2,1-7H3

InChIKey

InChIKey=NWNUTSZTAUGIGA-UHFFFAOYSA-N

SMILES

C(OC1OC(COC2C(O)C(O)C(O)CO2)C(O)C(O)C1O)(=O)C34C(C=5C(C)(CC3O)C6(C)C(CC5)C7(C)C(CC6)C(C)(C)C(OC8C(OC9OC(CO)C(O)C(O)C9O)C(O)C(O)CO8)CC7)CC(C)(C)CC4

Canonical SMILES

O=C(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C34CCC(C)(C)CC4C5=CCC6C7(C)CCC(OC8OCC(O)C(O)C8OC9OC(CO)C(O)C(O)C9O)C(C)(C)C7CCC6(C)C5(C)CC3O

Other Names for this Substance

  • Olean-12-en-28-oic acid, 3-[(2-O-β-D-glucopyranosyl-α-L-arabinopyranosyl)oxy]-16-hydroxy-, 6-O-β-D-xylopyranosyl-β-D-glucopyranosyl ester, (3β,16α)-
  • 6-O-β-D-Xylopyranosyl-β-D-glucopyranosyl (3β,16α)-3-[(2-O-β-D-glucopyranosyl-α-L-arabinopyranosyl)oxy]-16-hydroxyolean-12-en-28-oate
  • Dulcin
  • Dulcin (terpene glycoside)

CAS INSIGHTSTM
Pile of blue, green, and white color of capsule pills with modern design light.