β-D-Glucopyranoside, (2β,3β)-28-hydroxyolean-12-ene-2,3-diyl bis[4-O-(6-deoxy-β-L-mannopyranosyl)-
CAS Registry Number®
CAS Name
β-D-Glucopyranoside, (2β,3β)-28-hydroxyolean-12-ene-2,3-diyl bis[4-O-(6-deoxy-β-L-mannopyranosyl)-Molecular Formula
C54H90O21Molecular Mass
1075.28Cite this Page
β-D-Glucopyranoside, (2β,3β)-28-hydroxyolean-12-ene-2,3-diyl bis[4-O-(6-deoxy-β-L-mannopyranosyl)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=86264-32-6 (retrieved ) (CAS RN: 86264-32-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C54H90O21/c1-23-32(58)34(60)38(64)45(68-23)73-42-28(20-55)71-47(40(66)36(42)62)70-27-19-51(7)30(12-13-53(9)31(51)11-10-25-26-18-49(3,4)14-16-54(26,22-57)17-15-52(25,53)8)50(5,6)44(27)75-48-41(67)37(63)43(29(21-56)72-48)74-46-39(65)35(61)33(59)24(2)69-46/h10,23-24,26-48,55-67H,11-22H2,1-9H3
InChIKey
InChIKey=IQEJZVREAFVGNP-UHFFFAOYSA-N
SMILES
CC12C3(C)C(C4C(CO)(CC3)CCC(C)(C)C4)=CCC1C5(C)C(CC2)C(C)(C)C(OC6OC(CO)C(OC7C(O)C(O)C(O)C(C)O7)C(O)C6O)C(OC8OC(CO)C(OC9C(O)C(O)C(O)C(C)O9)C(O)C8O)C5
Canonical SMILES
OCC1OC(OC2CC3(C)C(CCC4(C)C3CC=C5C6CC(C)(C)CCC6(CO)CCC54C)C(C)(C)C2OC7OC(CO)C(OC8OC(C)C(O)C(O)C8O)C(O)C7O)C(O)C(O)C1OC9OC(C)C(O)C(O)C9O
Other Names for this Substance
- β-D-Glucopyranoside, (2β,3β)-28-hydroxyolean-12-ene-2,3-diyl bis[4-O-(6-deoxy-β-L-mannopyranosyl)-
- Oleanane, β-D-glucopyranoside deriv.
- Melilotin (glycoside)
- Melilotin