Basic information
- CAS
40279-64-9- Standard SMILES
CC1OC(OC2CCC3(CO)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)CC2OC(c3ccccc3)OC12- InChIKey
HTIPRFQCVQFOMU-UHFFFAOYSA-N- Molecular formula
- C36H48O9
- Average molar mass
- 624.8 g/mol
- Monoisotopic mass
- 624.3298331
Names & identifiers
- Preferred name
- 5-beta-Card-20(22)-enolide, 3-beta-((3,4-O-benzylidene-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-5,14,19-trihydroxy-
- IUPAC
- 3-[5,14-dihydroxy-10-(hydroxymethyl)-13-methyl-3-[(4-methyl-2-phenyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl)oxy]-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
Benzaldehydhelveticosol [German]Benzaldehydhelveticosol40279-64-95-beta-Card-20(22)-enolide, 3-beta-((3,4-O-benzylidene-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-5,14,19-trihydroxy-RefChem:3013543-[(3,4-o-benzylidene-2,6-dideoxyhexopyranosyl)oxy]-5,14,19-trihydroxycard-20(22)-enolideDTXSID20960672
Database identifiers
- CAS
40279-64-9- PubChem CID
- 218123
- DTXSID
DTXSID20960672
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,190
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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