Basic information
- CAS
52-73-3- Standard SMILES
C#C[C@@]1(O)C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@]4(C)O)[C@@]2(C)C1- InChIKey
CKVARAAULLDWSS-OCHQKFOUSA-N- Molecular formula
- C21H32O2
- Average molar mass
- 316.5 g/mol
- Monoisotopic mass
- 316.24023026
Names & identifiers
- Preferred name
- A-NORANDROSTANE-2-beta,17-beta-DIOL, 2-alpha-ETHYNYL-17-alpha-METHYL-
- IUPAC
- (2R,3aS,3bS,5aS,6S,8aS,8bR,10aS)-2-ethynyl-3a,5a,6-trimethyl-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]indene-2,6-diol
Names & synonyms
52-73-3A-NORANDROSTANE-2-beta,17-beta-DIOL, 2-alpha-ETHYNYL-17-alpha-METHYL-521UMF9BM9UNII-521UMF9BM9(1s,3as,3br,5as,7r,8as,8bs,10as)-7-ethynyl-1,8a,10a-trimethylhexadecahydrodicyclopenta[a,f]naphthalene-1,7-diol2-alpha-Ethynyl-17-alpha-methyl-A-norandrostane-2-beta,17-beta-diolNIOSH/RB5876650DTXSID10966325Dicyclopenta(a,f)naphthalene, A-norandrostane-2,17-diol deriv2-Ethynyl-17-methyl-a-norandrostane-2,17-diol, (2beta,5alpha,17beta)-RB58766500Q27260946
Show more names
2-Ethynyl-17-methyl-A-norandrostane-2-beta,17-beta-diolA-Norandrostane-2-beta,17-beta-diol, 2-ethynyl-17-methyl-(2beta,5alpha,17beta)-2-ethynyl-17-methyl-a-norandrostane-2,17-diol2-ETHYNYL-17-METHYL-A-NOR-5.ALPHA.-ANDROSTANE-2.BETA.,17.BETA.-DIOL2-ETHYNYL-17-METHYL-A-NORANDROSTANE-2,17-DIOL, (2.BETA.,5.ALPHA.,17.BETA.)-7-Ethynyl-1,8a,10a-trimethylhexadecahydrodicyclopenta[a,f]naphthalene-1,7-diolA-NOR-5.ALPHA.-ANDROSTANE-2.BETA.,17.BETA.-DIOL, 2-ETHYNYL-17-METHYL-A-NORANDROSTANE-2,17-DIOL, 2-ETHYNYL-17-METHYL-, (2.BETA.,5.ALPHA.,17.BETA.)-
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 576
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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