Basic information
- CAS
41410-46-2- Standard SMILES
C[C@@]1(CO)[C@H]2C[C@H](O)[C@]34C=C(CO)[C@H](CC[C@H]3[C@]2(C)CC[C@H]1O)C4- InChIKey
HCTUZNMZWMKOBW-XTSCITRTSA-N- Molecular formula
- C20H32O4
- Average molar mass
- 336.5 g/mol
Names & identifiers
- Preferred name
- (1R,2S,4S,5S,6R,9S,10S,13R)-5,14-bis(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-2,6-diol
- IUPAC
- (1R,2S,4S,5S,6R,9S,10S,13R)-5,14-bis(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-2,6-diol
- English name
- (4S)-Kaur-15-ene-3α,7β,17,19-tetrol
- Molecular formula
- C20H32O4
- Molecular weight
- 336.47
Names & synonyms
Isoleucanthol(4S)-Kaur-15-ene-3α,7β,17,19-tetrolKaur-15-ene-3,7,17,18-tetrol, (3α,4β,7β)- (9CI)
Database identifiers
- CAS
41410-46-2- Nikkaji
- J34.250E
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 560
Physicochemical properties
- Boiling point
- 523.9 · 523.9±50.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- pka
- 14.73 · 14.73±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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