Basic information
- CAS
35811-10-0- Standard SMILES
Cc1ccc(C2(C)OC3CC(OC4CCC5(CO)C6CCC7(C)C(C8=CC(=O)OC8)CCC7(O)C6CCC5(O)C4)OC(C)C3O2)cc1- InChIKey
DKYPYYYHMCCNOL-UHFFFAOYSA-N- Molecular formula
- C38H52O9
- Average molar mass
- 652.8 g/mol
- Monoisotopic mass
- 652.36113323
Names & identifiers
- Preferred name
- Card-20(22)-enolide, 3-((2,6-dideoxy-3,4-O-((1-(p-methylphenyl)ethylidene)bis(oxy))-beta-D-ribo-hexopyranosyl)oxy)-5,14,19-trihydroxy-, (3-beta,5-beta)-
- IUPAC
- 3-[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-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Names & synonyms
4'-Methylacetophenonehelveticosol4-Methylacetophenonhelveticosol [German]4-Methylacetophenonhelveticosol35811-10-0Card-20(22)-enolide, 3-((2,6-dideoxy-3,4-O-((1-(p-methylphenyl)ethylidene)bis(oxy))-beta-D-ribo-hexopyranosyl)oxy)-5,14,19-trihydroxy-, (3-beta,5-beta)-RefChem:3335733-({2,6-dideoxy-3,4-o-[1-(4-methylphenyl)ethylidene]hexopyranosyl}oxy)-5,14,19-trihydroxycard-20(22)-enolideDTXSID60957203
Database identifiers
- CAS
35811-10-0- PubChem CID
- 215535
- DTXSID
DTXSID60957203
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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