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17-Ketotrilostane
[CAS# 94152-62-2]

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CAS#: 94152-62-2
Product: 17-Ketotrilostane
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Identification
Name 17-Ketotrilostane
Synonyms Androst-2-Ene-2-Carbonitrile, 4,5-Epoxy-3-Hydroxy-17-Oxo-, (4Alpha,5Alpha)-
Molecular Structure CAS#: 94152-62-2, 17-Ketotrilostane
Molecular Formula C20H25NO3
Molecular Weight 327.42
CAS Registry Number 94152-62-2
SMILES [C@H]15C(=C(C[C@]3(C1(CC[C@H]4[C@@H]2CCC([C@@]2(C)CC[C@H]34)=O)O5)C)C#N)O
InChI 1S/C20H25NO3/c1-18-7-6-14-12(13(18)3-4-15(18)22)5-8-20-17(24-20)16(23)11(10-21)9-19(14,20)2/h12-14,17,23H,3-9H2,1-2H3/t12-,13-,14-,17-,18-,19+,20?/m0/s1
InChIKey GGERVOWULWKCTQ-NDPIKPLXSA-N
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