Basic information
- CAS
22654-47-3- Standard SMILES
CC1OC(OC2CCC3(C)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)C(O)CC43O)C2)CC(O)C1O- InChIKey
IQOYEMCASBGLJD-UHFFFAOYSA-N- Molecular formula
- C29H44O8
- Average molar mass
- 520.7 g/mol
- Monoisotopic mass
- 520.30361836
Names & identifiers
- Preferred name
- 3-[(2,6-Dideoxyhexopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide
- IUPAC
- 3-[3-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-14,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Names & synonyms
3-[(2,6-dideoxyhexopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolideDTXSID2094532322654-47-3NS00033114
Database identifiers
- CAS
22654-47-3- PubChem CID
- 102431
- DTXSID
DTXSID20945323
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 952
Experimental & physicochemical properties
LogP1.76
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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