3-Mimnce

Substructure search Find similar structures

Basic information

CAS: 70240-78-7
Standard SMILES: CO[C@H]1CCC2=C(C1)[C@H](CI)C[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]12
InChIKey: LLHJJPFLHKMELY-HJWFFQFZSA-N
Molecular formula: C28H47IO
Average molar mass: 526.6 g/mol
Monoisotopic mass: 526.26716

Names & identifiers

Preferred name: 3-Mimnce
IUPAC: (3S,6R,8S,9S,13R,14S,17R)-6-(iodomethyl)-3-methoxy-13-methyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene
English name: 3 beta-methoxy-6-beta-iodomethyl-19-norcholest-5(10)ene
Molecular formula: C28H47IO
Molecular weight: 0

Names & synonyms

3-Mimnce70240-78-7(3S,6R,8S,9S,13R,14S,17R)-6-(iodomethyl)-3-methoxy-13-methyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene9061-68-1DTXSID309202826-(Iodomethyl)-3-methoxy-19-norcholest-5(10)-ene3beta-Methoxy-6-beta-iodomethyl-19-norcholest-5(10)ene6beta-(Iodomethyl)-3beta-methoxy-19-norcholest-5(10)-ene19-Norcholest-5(10)-ene, 6-(iodomethyl)-3-methoxy-, (3beta,6beta)6β-Jodmethyl-3β-methoxy-19-norcholest-5(10)-en3 beta-methoxy-6-beta-iodomethyl-19-norcholest-5(10)ene

Database identifiers

CAS: 70240-78-7、9061-68-1
PubChem CID: 194339
DTXSID: DTXSID30920282

Properties

Computed structural properties

XLogP: 9.4
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 7
Heavy atoms: 30
Formal charge: 0
Complexity: 624

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…