Basic information
- CAS
40489-39-2- Standard SMILES
CCCCCCC1(CC)OC2CC(OC3CCC4(C=O)C5CCC6(C)C(C7=CC(=O)OC7)CCC6(O)C5CCC4(O)C3)OC(C)C2O1- InChIKey
WWMXNLQXJRAOLA-UHFFFAOYSA-N- Molecular formula
- C38H58O9
- Average molar mass
- 658.9 g/mol
- Monoisotopic mass
- 658.40808342
Names & identifiers
- Preferred name
- 5-beta-Card-20(22)-enolide, 3-beta-((2,6-dideoxy-3,4-O-(1-ethylheptylidene)-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-
- IUPAC
- 3-[(2-ethyl-2-hexyl-4-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl)oxy]-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
Names & synonyms
Aethylhexylketonhelveticosid [German]Aethylhexylketonhelveticosid40489-39-25-beta-Card-20(22)-enolide, 3-beta-((2,6-dideoxy-3,4-O-(1-ethylheptylidene)-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-RefChem:301346DTXSID509608673-{[2,6-dideoxy-3,4-o-(1-ethylheptylidene)hexopyranosyl]oxy}-5,14-dihydroxy-19-oxocard-20(22)-enolide
Database identifiers
- CAS
40489-39-2- PubChem CID
- 218325
- DTXSID
DTXSID50960867
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,240
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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