β-D-Glucopyranoside, (2β,3β)-28-hydroxyolean-12-ene-2,3-diyl bis[4-O-(6-deoxy-β-L-mannopyranosyl)-

CAS Registry Number®

86264-32-6

CAS Name

β-D-Glucopyranoside, (2β,3β)-28-hydroxyolean-12-ene-2,3-diyl bis[4-O-(6-deoxy-β-L-mannopyranosyl)-

Molecular Formula

C54H90O21

Molecular Mass

1075.28

Cite 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 2024-11-25) (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

CAS INSIGHTSTM
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