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(6R)-6-[(3S,5R,7R,8R,9S,10S,13R,14S)-3-[3-(4-aminobutylamino)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-methylhept-1-en-3-one
SpectraBase Compound ID CXD4vMSn3zw
InChI InChI=1S/C34H61N3O2/c1-23(2)30(38)12-9-24(3)27-10-11-28-32-29(14-16-34(27,28)5)33(4)15-13-26(21-25(33)22-31(32)39)37-20-8-19-36-18-7-6-17-35/h24-29,31-32,36-37,39H,1,6-22,35H2,2-5H3/t24-,25-,26+,27?,28+,29+,31-,32+,33+,34-/m1/s1
InChIKey YEKXNRKKBNWRAG-YPXWMPTQSA-N
Mol Weight 543.9 g/mol
Molecular Formula C34H61N3O2
Exact Mass 543.476378 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LZ5Q6iZPgtV
Name (6R)-6-[(3S,5R,7R,8R,9S,10S,13R,14S)-3-[3-(4-aminobutylamino)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-methylhept-1-en-3-one
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H61N3O2
InChI InChI=1S/C34H61N3O2/c1-23(2)30(38)12-9-24(3)27-10-11-28-32-29(14-16-34(27,28)5)33(4)15-13-26(21-25(33)22-31(32)39)37-20-8-19-36-18-7-6-17-35/h24-29,31-32,36-37,39H,1,6-22,35H2,2-5H3/t24-,25-,26+,27?,28+,29+,31-,32+,33+,34-/m1/s1
InChIKey YEKXNRKKBNWRAG-YPXWMPTQSA-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 543.877 g/mol
Solvent CD3OD
Source File Reference UWCS25474