Basic information
- CAS
19536-24-4- Standard SMILES
CC(C)(O)CCC[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C- InChIKey
KFLDRYHMXLUSFO-ISSBNPATSA-N- Molecular formula
- C27H44O6
- Average molar mass
- 464.6 g/mol
Overview
Taxisterone has been reported in Silene indica, Taxus cuspidata, and other organisms with data available.
Names & identifiers
- Preferred name
- Taxisterone
- IUPAC
- (2S,3R,5R,9R,10R,13R,14S,17S)-17-[(2S)-2,6-dihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
- English name
- 22-Deoxy-20-hydroxyecdysone
- Molecular formula
- C27H44O6
- Molecular weight
- 464.63
Names & synonyms
Taxisterone19536-24-4RefChem:93260522-deoxy-20-hydroxyecdysoneCHEMBL2087145SCHEMBL29679306LMST01010565(2S,3R,5R,9R,10R,13R,14S,17S)-17-[(2S)-2,6-dihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one2beta,3beta,14alpha,20R,25-pentahydroxy-5beta-cholest-7-en-6-one(+)-Taxisterone22-Deoxyecdysterone22-Deoxycrustecdysone
Show more names
(+)-2β,3β,14,20,25-Pentahydroxy-5β-cholest-7-en-6-one(+)-2β,3β,14,20,25-Pentahydroxy-5β-cholesta-7-ene-6-oneCholest-7-en-6-one, 2,3,14,20,25-pentahydroxy-, (2β,3β,5β)-
Database identifiers
- CAS
19536-24-4- ChEMBL
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 836
Experimental & physicochemical properties
LipidsLipids -> Sterol Lipids [ST] -> Sterols [ST01] -> Cholesterol and derivatives [ST0101]
Chemistry & industry
Suppliers1 total
Apin Chemicals Limited (UK)[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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