For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
SALIGNARINE-B;(20S)-2-BETA-HYDROXY-20-(DIMETHYLAMINO)-3-BETA-(TIGLOYLAMINO)-PREGN-5-ENE
SpectraBase Compound ID 1bUs4sbn6dm
InChI InChI=1S/C28H46N2O2/c1-8-17(2)26(32)29-24-15-19-9-10-20-22-12-11-21(18(3)30(6)7)27(22,4)14-13-23(20)28(19,5)16-25(24)31/h8-9,18,20-25,31H,10-16H2,1-7H3,(H,29,32)/b17-8+/t18-,20-,21+,22-,23-,24+,25-,27+,28-/m0/s1
InChIKey VHUUFOJKTGMUTC-SYDZCELUSA-N
Mol Weight 442.7 g/mol
Molecular Formula C28H46N2O2
Exact Mass 442.355929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID HR54nEz0Qqu
Name (E)-N-[(2S,3R,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-2-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-2-methyl-but-2-enamide
Alternate Name(s) (E)-N-[(2S,3R,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-2-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-2-methyl-2-butenamide (E)-N-[(2S,3R,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-2-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-2-methyl-but-2-enamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H46N2O2
InChI InChI=1S/C28H46N2O2/c1-8-17(2)26(32)29-24-15-19-9-10-20-22-12-11-21(18(3)30(6)7)27(22,4)14-13-23(20)28(19,5)16-25(24)31/h8-9,18,20-25,31H,10-16H2,1-7H3,(H,29,32)/b17-8+/t18-,20-,21+,22-,23-,24+,25-,27+,28-/m0/s1
InChIKey VHUUFOJKTGMUTC-SYDZCELUSA-N
Molecular Weight 442.688 g/mol
SMILES N(C(\C(=C\C)C)=O)[C@]1([C@](C[C@]2(C(C1)=CC[C@@]1([C@@]2(CC[C@@]2([C@](CC[C@@]12[H])([C@@](N(C)C)(C)[H])[H])C)[H])[H])C)(O)[H])[H]
SPLASH splash10-0fir-9200400000-184054741599a9db588c
Source of Spectrum G4-63-1367-2
Wiley ID 1608639