Basic information
- CAS
35811-09-7- Standard SMILES
Cc1ccc(C2(C)OC3CC(OC4CCC5(C=O)C6CCC7(C)C(C8=CC(=O)OC8)CCC7(O)C6CCC5(O)C4)OC(C)C3O2)cc1- InChIKey
KBFMPNDZFVCWJP-UHFFFAOYSA-N- Molecular formula
- C38H50O9
- Average molar mass
- 650.8 g/mol
- Monoisotopic mass
- 650.34548317
Names & identifiers
- Preferred name
- 5-beta-Card-20(22)-enolide, 3-beta-((2,6-dideoxy-3,4-O-(alpha,p-dimethylbenzylidene)-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-
- IUPAC
- 3-[[2,4-dimethyl-2-(4-methylphenyl)-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
4-Methylacetophenonhelveticosid [German]4-Methylacetophenonhelveticosid35811-09-75-beta-Card-20(22)-enolide, 3-beta-((2,6-dideoxy-3,4-O-(alpha,p-dimethylbenzylidene)-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-RefChem:3013513-({2,6-dideoxy-3,4-o-[1-(4-methylphenyl)ethylidene]hexopyranosyl}oxy)-5,14-dihydroxy-19-oxocard-20(22)-enolideDTXSID00957202
Database identifiers
- CAS
35811-09-7- PubChem CID
- 215534
- DTXSID
DTXSID00957202
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…