Basic information
- CAS
1778-88-7- Standard SMILES
C[C@]12CC[C@H](O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O- InChIKey
UVVGWNHIKZRQLP-MITUEXOSSA-N- Molecular formula
- C23H32O4
- Average molar mass
- 372.5 g/mol
- Monoisotopic mass
- 372.2300595
Overview
RN given refers to (3beta)-isomer; structure
Names & identifiers
- Preferred name
- Canarigenin
- IUPAC
- 3-[(3S,8R,9S,10R,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Names & synonyms
CanarigeninCarda-4,20(22)-dienolide, 3,14-dihydroxy-, (3beta)-RefChem:9179673,14-dihydroxy-3 beta-carda-4,20(22)-dienolide1778-88-7Digitoxigenin-4-enNSC 2375273,14-Dihydroxy-3beta-carda-4,20(22)-dienolideSCHEMBL21578270UVVGWNHIKZRQLP-MITUEXOSSA-N3b,14b-dihydroxycarda-4,20(22)-dienolidNS00093751
Show more names
3,14-Dihydroxycarda-4,20(22)-dienolide #
Database identifiers
- CAS
1778-88-7- PubChem CID
- 99526
- Nikkaji
- J14.353G
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 739
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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