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N-[(4R,5R,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-4-oxidanyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]benzamide
SpectraBase Compound ID 3laLtuC43sC
InChI InChI=1S/C30H44N2O2/c1-19(32(4)5)22-13-14-23-21-11-12-25-27(33)26(31-28(34)20-9-7-6-8-10-20)16-18-30(25,3)24(21)15-17-29(22,23)2/h6-10,16,19,21-25,27,33H,11-15,17-18H2,1-5H3,(H,31,34)/t19-,21-,22+,23-,24-,25-,27+,29+,30+/m0/s1
InChIKey ZJVSTIUIDCVZPW-CLLHIRHQSA-N
Mol Weight 464.7 g/mol
Molecular Formula C30H44N2O2
Exact Mass 464.340279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H1vcSGQC75S
Name N-[(4R,5R,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-4-oxidanyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]benzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H44N2O2
InChI InChI=1S/C30H44N2O2/c1-19(32(4)5)22-13-14-23-21-11-12-25-27(33)26(31-28(34)20-9-7-6-8-10-20)16-18-30(25,3)24(21)15-17-29(22,23)2/h6-10,16,19,21-25,27,33H,11-15,17-18H2,1-5H3,(H,31,34)/t19-,21-,22+,23-,24-,25-,27+,29+,30+/m0/s1
InChIKey ZJVSTIUIDCVZPW-CLLHIRHQSA-N
Molecular Weight 464.694 g/mol
SMILES O[C@@]1([C@@]2(CC[C@@]3([C@@]([C@]2(CC=C1NC(=O)c1ccccc1)C)(CC[C@@]1([C@](CC[C@@]31[H])([C@@](N(C)C)(C)[H])[H])C)[H])[H])[H])[H]
SPLASH splash10-00di-0092600000-abdc118db37e95235516
Source of Spectrum F-56-3137-2
Synonyms N-[(4R,5R,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-4-hydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]benzamide
Wiley ID 856963