CHEBI:94616 - (8S,11R,13S,14R,17S)-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

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ChEBI Name (8S,11R,13S,14R,17S)-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
ChEBI ID CHEBI:94616
Stars This entity has been manually annotated by a third party.
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Formula C29H35NO2
Net Charge 0
Average Mass 429.595
Monoisotopic Mass 429.26678
InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26+,28-,29-/m0/s1
InChIKey VKHAHZOOUSRJNA-VBWGZTFCSA-N
SMILES CC#C[C@@]1(CC[C@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)C5=CC=C(C=C5)N(C)C)C)O
ChEBI Ontology
Outgoing (8S,11R,13S,14R,17S)-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one (CHEBI:94616) is a oxo steroid (CHEBI:35789)
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