Stigmasterol TMS ether
Basic information
- CAS
14030-29-6- Standard SMILES
CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C- InChIKey
SZLWSWKRZSAHBC-MZXORBNVSA-N- Molecular formula
- C32H56OSi
- Average molar mass
- 484.9 g/mol
- Monoisotopic mass
- 484.41004294
Names & identifiers
- Preferred name
- Stigmasterol TMS ether
- IUPAC
- [(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane
Names & synonyms
Stigmasterol TMS etherTRIMETHYLSILYL STIGMASTEROLDTXSID001347742Q6339966614030-29-6
Database identifiers
- CAS
14030-29-6- PubChem CID
- 101320321
- DTXSID
DTXSID001347742- Nikkaji
- J45.275K
Properties
Computed structural properties
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 774
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Related reactions
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Compound notes
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