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CHEBI:94498 - (8R,9S,13S,14R,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol

ChEBI IDCHEBI:94498
ChEBI Name(8R,9S,13S,14R,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
Stars
DownloadsMolfile
FormulaC21H26O2
Net Charge0
Average Mass310.437
Monoisotopic Mass310.19328
SMILESC#C[C@]1(O)CC[C@@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C
InChIInChI=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+/m1/s1
InChIKeyIMSSROKUHAOUJS-XKRYSZRTSA-N
ChEBI Ontology
Outgoing Relation(s)
(8R,9S,13S,14R,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol (CHEBI:94498) has parent hydride estrane (CHEBI:23966)
(8R,9S,13S,14R,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol (CHEBI:94498) is a steroid (CHEBI:35341)
Manual XrefsDatabases
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