Deglucohellebrin

CAS Registry Number®

20300-44-1

CAS Name

Deglucohellebrin

Molecular Formula

C30H42O10

Molecular Mass

562.65

Cite this Page

Deglucohellebrin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=20300-44-1 (retrieved 2024-11-22) (CAS RN: 20300-44-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    238-250 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H42O10/c1-16-23(33)24(34)25(35)26(39-16)40-18-5-10-28(15-31)20-6-9-27(2)19(17-3-4-22(32)38-14-17)8-12-30(27,37)21(20)7-11-29(28,36)13-18/h3-4,14-16,18-21,23-26,33-37H,5-13H2,1-2H3/t16-,18-,19+,20-,21+,23-,24+,25+,26-,27+,28-,29-,30-/m0/s1

InChIKey

InChIKey=HNNFRQFXBWSJBX-MTUTWWBMSA-N

SMILES

C(=O)[C@@]12[C@@]3([C@]([C@]4(O)[C@](C)(CC3)[C@H](CC4)C=5C=CC(=O)OC5)(CC[C@]1(O)C[C@@H](O[C@H]6[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O6)CC2)[H])[H]

Canonical SMILES

O=CC12CCC(OC3OC(C)C(O)C(O)C3O)CC2(O)CCC4C1CCC5(C)C(C6=COC(=O)C=C6)CCC45O

Other Names for this Substance

  • Bufa-20,22-dienolide, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-5,14-dihydroxy-19-oxo-, (3β,5β)-
  • 5β-Bufa-20,22-dienolide, 3β-[(6-deoxy-α-L-mannopyranosyl)oxy]-5,14-dihydroxy-19-oxo-
  • Hellebrin, degluco-
  • (3β,5β)-3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-5,14-dihydroxy-19-oxobufa-20,22-dienolide
  • Deglucohellebrin

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CAS INSIGHTSTM
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