CHEBI:91543 - (13S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol

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ChEBI Name (13S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
ChEBI ID CHEBI:91543
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H26O2
Net Charge 0
Average Mass 310.431
Monoisotopic Mass 310.19328
InChI InChI=1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17?,18?,19?,20-,21-/m0/s1
InChIKey IMSSROKUHAOUJS-VYJKVFMHSA-N
SMILES C[C@]12CCC3C(C1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)OC
ChEBI Ontology
Outgoing (13S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol (CHEBI:91543) has parent hydride estrane (CHEBI:23966)
(13S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol (CHEBI:91543) is a steroid (CHEBI:35341)
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