Hellebrin

CAS Registry Number®

13289-18-4

CAS Name

Hellebrin

Molecular Formula

C36H52O15

Molecular Mass

724.79

Cite this Page

Hellebrin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13289-18-4 (retrieved 2024-11-22) (CAS RN: 13289-18-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    283.5 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C36H52O15/c1-17-30(51-32-28(43)26(41)25(40)23(14-37)50-32)27(42)29(44)31(48-17)49-19-5-10-34(16-38)21-6-9-33(2)20(18-3-4-24(39)47-15-18)8-12-36(33,46)22(21)7-11-35(34,45)13-19/h3-4,15-17,19-23,25-32,37,40-46H,5-14H2,1-2H3

InChIKey

InChIKey=DCSLTSSPIJWEJN-UHFFFAOYSA-N

SMILES

C(=O)C12C3C(C4(O)C(C)(CC3)C(CC4)C=5C=CC(=O)OC5)CCC1(O)CC(OC6C(O)C(O)C(OC7OC(CO)C(O)C(O)C7O)C(C)O6)CC2

Canonical SMILES

O=CC12CCC(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)CC2(O)CCC5C1CCC6(C)C(C7=COC(=O)C=C7)CCC56O

Other Names for this Substance

  • Bufa-20,22-dienolide, 3-[(6-deoxy-4-O-β-D-glucopyranosyl-α-L-mannopyranosyl)oxy]-5,14-dihydroxy-19-oxo-, (3β,5β)-
  • Hellebrin
  • (3β,5β)-3-[(6-Deoxy-4-O-β-D-glucopyranosyl-α-L-mannopyranosyl)oxy]-5,14-dihydroxy-19-oxobufa-20,22-dienolide
  • Corelborin
  • Corelborin π

View All

Deleted or Replaced CAS Registry Numbers

12626-45-8, 28518-57-2