Basic information
- CAS
20045-09-4- Standard SMILES
COC1CC(OC2CCC3(CO)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)OC(C)C1OC- InChIKey
VGZQSTTXBJBTFN-UHFFFAOYSA-N- Molecular formula
- C31H48O9
- Average molar mass
- 564.7 g/mol
- Monoisotopic mass
- 564.3298331
Names & identifiers
- Preferred name
- (3beta,5beta)-3-((2,6-Dideoxy-3,4-di-O-methyl-beta-D-ribo-hexopyranosyl)oxy)-5,14,19-trihydroxycard-20(22)-enolide
- IUPAC
- 3-[3-(4,5-dimethoxy-6-methyloxan-2-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
20045-09-4EINECS 243-480-93-[(2,6-dideoxy-3,4-di-o-methylhexopyranosyl)oxy]-5,14,19-trihydroxycard-20(22)-enolideDTXSID40942056(3beta,5beta)-3-((2,6-Dideoxy-3,4-di-O-methyl-beta-D -ribo-hexopyranosyl)oxy)-5,14,19-trihydroxycard-20(22)-enolideNS00048214
Database identifiers
- CAS
20045-09-4- PubChem CID
- 89266
- DTXSID
DTXSID40942056- EC Number
- 243-480-9
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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