Deglucohellebrin
CAS Registry Number®
20300-44-1
No image available.
CAS Name
DeglucohellebrinMolecular Formula
C30H42O10Molecular Mass
562.65Cite 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 ) (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