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[(3R,6R)-6-[(3S,5R,7R,8R,9S,10S,13R,14S)-3-[3-[4-(3-aminopropylamino)butylamino]propylamino]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptan-3-yl] hydrogen sulfate
SpectraBase Compound ID HmiefjU3amm
InChI InChI=1S/C37H72N4O5S/c1-26(2)34(46-47(43,44)45)13-10-27(3)30-11-12-31-35-32(15-17-37(30,31)5)36(4)16-14-29(24-28(36)25-33(35)42)41-23-9-22-40-20-7-6-19-39-21-8-18-38/h26-35,39-42H,6-25,38H2,1-5H3,(H,43,44,45)/t27-,28-,29+,30?,31+,32+,33-,34-,35+,36+,37-/m1/s1
InChIKey WUJVPODXELZABP-ULRMNHNTSA-N
Mol Weight 685.1 g/mol
Molecular Formula C37H72N4O5S
Exact Mass 684.522343 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EnyqbcXoUgm
Name [(3R,6R)-6-[(3S,5R,7R,8R,9S,10S,13R,14S)-3-[3-[4-(3-aminopropylamino)butylamino]propylamino]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptan-3-yl] hydrogen sulfate
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H72N4O5S
InChI InChI=1S/C37H72N4O5S/c1-26(2)34(46-47(43,44)45)13-10-27(3)30-11-12-31-35-32(15-17-37(30,31)5)36(4)16-14-29(24-28(36)25-33(35)42)41-23-9-22-40-20-7-6-19-39-21-8-18-38/h26-35,39-42H,6-25,38H2,1-5H3,(H,43,44,45)/t27-,28-,29+,30?,31+,32+,33-,34-,35+,36+,37-/m1/s1
InChIKey WUJVPODXELZABP-ULRMNHNTSA-N
Literature Reference Author M.N.RAO,A.E.SHINNAR,L.A.NOECKER,T.L.CHAO,B.FEIBUSH,B.SNYDER, I.SHARKANSKY,X.ZHANG
Literature Reference Citation J.NAT.PROD.,63,631(2000)
Literature Reference DOI 10.1021/np990514f
Molecular Weight 685.062 g/mol
Solvent CD3OD
Source File Reference UWCS25476