23,24-Dihydroxy-25-methoxylanost-7-en-3-one
Basic information
- CAS
115334-04-8- Standard SMILES
COC(C)(C)[C@@H](O)[C@H](O)C[C@H](C)[C@H]1CC[C@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C- InChIKey
OCURJKDUYAFAQG-RLXWAGRASA-N- Molecular formula
- C31H52O4
- Average molar mass
- 488.7 g/mol
- Monoisotopic mass
- 488.38656014
Names & identifiers
- Preferred name
- 23,24-Dihydroxy-25-methoxylanost-7-en-3-one
- IUPAC
- (9R,10R,13S,14S,17R)-17-[(2S,4R,5S)-4,5-dihydroxy-6-methoxy-6-methylheptan-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
- English name
- (23R,24S)-23,24-Dihydroxy-25-methoxy-5α-tirucall-7-en-3-one
- Molecular formula
- C31H52O4
- Molecular weight
- 488.74
Names & synonyms
DTXSID5092167523,24-Dihydroxy-25-methoxylanost-7-en-3-oneRefChem:1064919DTXCID801350565(9R,10R,13S,14S,17R)-17-[(2S,4R,5S)-4,5-dihydroxy-6-methoxy-6-methylheptan-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one24,25-Deepoxy-24-hydroxy-25-methoxyniloticinSCHEMBL29137420F92884(5xi,20S,23R,24S)-23,24-Dihydroxy-25-methoxy-13alpha,14beta-lanost-7-en-3-oneLanost-7-en-3-one, 23,24-dihydroxy-25-methoxy-, (13alpha,14beta,17alpha,20S,23R,24S)-Phellochin(23R,24S)-23,24-Dihydroxy-25-methoxy-5α-tirucall-7-en-3-one
Show more names
Lanost-7-en-3-one,23,24-dihydroxy-25-methoxy-, (13a,14b,17a,20S,23R,24S)-Lanost-7-en-3-one, 23,24-dihydroxy-25-methoxy-, (13α,14β,17α,20S,23R,24S)-
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 873
Physicochemical properties
- Melting point
- 173 · 173-175 °C
- Boiling point
- 589.2 · 589.2±50.0 °C(Predicted)
- Density
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Powder
- pka
- 14.48 · 14.48±0.20(Predicted)
Chemistry & industry
Applications
UsesPhellochin is a Triterpenoids product that can be isolated from the barks of Phellodendron chinense[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…