19-Norpregn-4-en-20-yn-17-ol--3-ethyl-19-norpregna-1,3,5(10)-trien-20-yn-17-ol (1/1)

HCID 82149

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Basic information

CAS: 8015-14-3
Standard SMILES: C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C.C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(CC)ccc4[C@H]3CC[C@@]21C
InChIKey: JFRPGRWPRUCLQL-TWYXDQSVSA-N
Molecular formula: C42H56O2
Average molar mass: 592.9 g/mol
Monoisotopic mass: 592.42803102

Names & identifiers

Preferred name: 19-Norpregn-4-en-20-yn-17-ol--3-ethyl-19-norpregna-1,3,5(10)-trien-20-yn-17-ol (1/1)
IUPAC: (8R,9S,13S,14S,17R)-3-ethyl-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol;(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol

Names & synonyms

DTXSID80100099419-Norpregn-4-en-20-yn-17-ol--3-ethyl-19-norpregna-1,3,5(10)-trien-20-yn-17-ol (1/1)RefChem:1057672DTXCID501427951NoracyclineLyndiolNoracyclin8015-14-3(8R,9S,13S,14S,17R)-3-ethyl-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol;(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-olSistometrenolOvanonRestovar

Show more names

Lynestrenol-mestranolOvariostat [French]OvariostatCCRIS 726019-Norpregna-1,3,5(10)-trien-20-yn-17-ol, 3-methoxy-, (17alpha)-, mixt. with (17alpha)-19-norpregn-4-en-20-yn-17-ol17alpha-19-Norpregn-4-en-20-yn-17-ol--3-ethyl-17alpha-19-norpregna-1,3,5(10)-trien-20-yn-17-ol (1/1)

Database identifiers

CAS: 8015-14-3
PubChem CID: 82149
DTXSID: DTXSID801000994

Properties

Computed structural properties

Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 44
Formal charge: 0
Complexity: 1,040

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