Basic information
- CAS
58917-39-8- Standard SMILES
C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C=O)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)CCC43O)C2)[C@H](O)[C@H](O)[C@H]1O- InChIKey
QITDIWRKOXBKAM-NRGHVDRHSA-N- Molecular formula
- C29H42O9
- Average molar mass
- 534.6 g/mol
- Monoisotopic mass
- 534.28288291
Names & identifiers
- Preferred name
- Corotoxigenin-rhamnose
- IUPAC
- (3S,5S,8R,9S,10R,13R,17R)-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
Names & synonyms
Corotoxigenin-rhamnoseRefChem:1082224
Database identifiers
- CAS
58917-39-8- PubChem CID
- 3042003
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 999
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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