Reoselin A
Basic information
- CAS
53011-70-4- Standard SMILES
C/C(=C\COc1ccc2ccc(=O)oc2c1)CC/C=C(\C)CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O- InChIKey
IRJOYYJBFNUUNS-HYEWAJBBSA-N- Molecular formula
- C36H52O15
- Average molar mass
- 724.8 g/mol
- Monoisotopic mass
- 724.33062095
Overview
Reoselin A has been reported in Ferula kirialovii, Ferula korshinskyi, and Ferula moschata with data available.
Names & identifiers
- Preferred name
- Reoselin A
- IUPAC
- 7-[(2E,6E,10S)-10-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-11-hydroxy-3,7,11-trimethyldodeca-2,6-dienoxy]chromen-2-one
Names & synonyms
Reoselin A53011-70-4RefChem:10980117-((2E,6E,10S)-10-((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxan-2-yl)oxy-11-hydroxy-3,7,11-trimethyldodeca-2,6-dienoxy)chromen-2-oneReoselinRheozelin ABRN 16759942H-1-Benzopyran-2-one, 7-((10-((2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-11-hydroxy-3,7,11-trimethyl-2,6-dodecadienyl)oxy)-, (S-(E,E))-SCHEMBL31397586
Database identifiers
- CAS
53011-70-4- PubChem CID
- 6445962
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 234 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 16
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,200
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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