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18-Norpregna-8,11,13-trien-12-ol, 3-(dimethylamino)-20-(methylamino)-, (3.beta.)-
SpectraBase Compound ID GH3Ow74a82P
InChI InChI=1S/C23H36N2O/c1-14(24-3)17-8-9-19-18-7-6-15-12-16(25(4)5)10-11-23(15,2)20(18)13-21(26)22(17)19/h13-17,24,26H,6-12H2,1-5H3/t14?,15?,16-,17+,23-/m0/s1
InChIKey VYIHZTOMEQPVBK-UUHMGKCLSA-N
Mol Weight 356.6 g/mol
Molecular Formula C23H36N2O
Exact Mass 356.282764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GYUNIMnGqhH
Name 18-Norpregna-8,11,13-trien-12-ol, 3-(dimethylamino)-20-(methylamino)-, (3.beta.)-
CAS Registry Number 86179-40-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H36N2O
InChI InChI=1S/C23H36N2O/c1-14(24-3)17-8-9-19-18-7-6-15-12-16(25(4)5)10-11-23(15,2)20(18)13-21(26)22(17)19/h13-17,24,26H,6-12H2,1-5H3/t14?,15?,16-,17+,23-/m0/s1
InChIKey VYIHZTOMEQPVBK-UUHMGKCLSA-N
Molecular Weight 356.554 g/mol
SMILES Oc1c2[C@@](C(NC)C)(CCc2c2CCC3[C@@](c2c1)(CC[C@@](C3)(N(C)C)[H])C)[H]
SPLASH splash10-0a4i-9021000000-db7f2c65062363be8706
Source of Spectrum O-18-4-9
Synonyms (3beta,17beta)-3-(dimethylamino)-10-methyl-17-[1-(methylamino)ethyl]gona-8,11,13-trien-12-ol 3-(dimethylamino)-20-methylamino-12-hydroxypregna-8,11,13-triene 3-Dimethylamino-12-hydroxy-20-methylamino-18-norpregn-8,11,13-triene
Wiley ID 1346177