19-Iodositosterol
Basic information
- CAS
42583-89-1- Standard SMILES
CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CI)[C@H]3CC[C@]12C)C(C)C- InChIKey
OCWKWAPHLJGAGY-GSFBUCGTSA-N- Molecular formula
- C29H49IO
- Average molar mass
- 540.6 g/mol
- Monoisotopic mass
- 540.28281
Overview
used for adrenal scanning with (131)I; RN given refers to (3 beta)-isomer
Names & identifiers
- Preferred name
- 19-Iodositosterol
- IUPAC
- (3S,8S,9S,10S,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10-(iodomethyl)-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Names & synonyms
19-Iodositosterol42583-89-1RefChem:7951119-iodositost-5-en-3 beta-ol19-iodostigmast-5-en-3 beta-ol19-Iodositost-5-en-3beta-ol19-Iodostigmast-5-en-3beta-olStigmast-5-en-3-ol, 19-iodo-, (3beta)-19-Iodostigmast-5-en-3-olDTXSID90962582(3S,8S,9S,10S,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10-(iodomethyl)-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Database identifiers
- CAS
42583-89-1- PubChem CID
- 6451900
- DTXSID
DTXSID90962582
Properties
Computed structural properties
- XLogP
- 10.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 655
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…