2-Cmnco

HCID 196281

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Basic information

CAS: 84393-64-6
Standard SMILES: COC(=O)C1CC(=O)[C@@H]2CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]3[C@@]12C
InChIKey: PJSICHQRUIZDEW-JRPMKIQBSA-N
Molecular formula: C28H46O3
Average molar mass: 430.7 g/mol
Monoisotopic mass: 430.34469533

Names & identifiers

Preferred name: 2-Cmnco
IUPAC: methyl (3aR,3bS,5aR,6R,8aS,8bS,10aR)-3a,5a-dimethyl-6-[(2R)-6-methylheptan-2-yl]-1-oxo-3,3b,4,5,6,7,8,8a,8b,9,10,10a-dodecahydro-2H-indeno[6,7-e]indene-3-carboxylate

Names & synonyms

2-Cmnco84393-64-6methyl (3aR,3bS,5aR,6R,8aS,8bS,10aR)-3a,5a-dimethyl-6-[(2R)-6-methylheptan-2-yl]-1-oxo-3,3b,4,5,6,7,8,8a,8b,9,10,10a-dodecahydro-2H-indeno[6,7-e]indene-3-carboxylate2-Carbomethoxy-A-nor-5alpha-cholestan-3-oneA-Norcholestane-2-carboxylic acid, 3-oxo-, methyl ester, (2alpha,5alpha)-

Database identifiers

CAS: 84393-64-6
PubChem CID: 196281

Properties

Computed structural properties

XLogP: 8
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 31
Formal charge: 0
Complexity: 698

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