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Pregn-3-eno[4,3-b][1,4]oxazepin-7'(4'H)-one, 20-(dimethylamino)-3,4,5',6'-tetrahydro-6'-(1-methylethylidene)-, (3.alpha.,4.alpha.,5.alpha.,20S)-
SpectraBase Compound ID 13FRQwhDbDq
InChI InChI=1S/C29H48N2O2/c1-17(2)20-16-30-25-13-15-29(5)23-12-14-28(4)21(18(3)31(6)7)10-11-22(28)19(23)8-9-24(29)26(25)33-27(20)32/h18-19,21-26,30H,8-16H2,1-7H3
InChIKey YESYHKZHXJMYRN-UHFFFAOYSA-N
Mol Weight 456.7 g/mol
Molecular Formula C29H48N2O2
Exact Mass 456.371579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3LXM5IVewIB
Name Pregn-3-eno[4,3-b][1,4]oxazepin-7'(4'H)-one, 20-(dimethylamino)-3,4,5',6'-tetrahydro-6'-(1-methylethylidene)-, (3.alpha.,4.alpha.,5.alpha.,20S)-
Alternate Name(s) 10-[1-(Dimethylamino)ethyl]-7a,9a-dimethyl-3-(1-methylethylidene)icosahydro-2H-cyclopenta[7,8]phenanthro[1,2-b][1,4]oxazepin-2-one 5.alpha.-Pregn-3-eno[4,3-b][1,4]oxazepin-7'(4.alpha.H)-one, 20.alpha.-(dimethylamino)-3.alpha.,4',5',6'-tetrahydro-6'-isopropylidene- Pachysantermine A Pregn-3-eno[4,3-b][1,4]oxazepin-7'(4H)-one, 20-(dimethylamino)-3,4',5',6'-tetrahydro-6'-(1-methylethylidene)-, (3.alpha.,4.alpha.,5.alpha.,20S)-
CAS Registry Number 15027-63-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H48N2O2
InChI InChI=1S/C29H48N2O2/c1-17(2)20-16-30-25-13-15-29(5)23-12-14-28(4)21(18(3)31(6)7)10-11-22(28)19(23)8-9-24(29)26(25)33-27(20)32/h18-19,21-26,30H,8-16H2,1-7H3
InChIKey YESYHKZHXJMYRN-UHFFFAOYSA-N
Molecular Weight 456.715 g/mol
SMILES N1CC(C(OC2C1CCC1(C2CCC2C1CCC1(C2CCC1C(N(C)C)C)C)C)=O)=C(C)C
SPLASH splash10-006x-8104900000-d412e53356c0f64ee849
Source of Spectrum T-67-4847-0
Wiley ID 1389442