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ISOSTEVIOL_LACTAM;4-ALPHA-CARBOXY-13-ALPHA-AMINO-13,16-SECO-ENT-19-NORBEYERAN_16-OIC_ACID-13,16-LACTAM
SpectraBase Compound ID 6Zn54O4oZNV
InChI InChI=1S/C20H31NO3/c1-17-9-5-14-18(2)7-4-8-19(3,16(23)24)13(18)6-10-20(14,12-17)11-15(22)21-17/h13-14H,4-12H2,1-3H3,(H,21,22)(H,23,24)/t13-,14-,17-,18+,19+,20-/m0/s1
InChIKey KGAVVPASANRIHQ-XGBBNYNSSA-N
Mol Weight 333.47 g/mol
Molecular Formula C20H31NO3
Exact Mass 333.230394 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EEh3muaYByQ
Name ISOSTEVIOL_LACTAM;4-ALPHA-CARBOXY-13-ALPHA-AMINO-13,16-SECO-ENT-19-NORBEYERAN_16-OIC_ACID-13,16-LACTAM
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H31NO3
InChI InChI=1S/C20H31NO3/c1-17-9-5-14-18(2)7-4-8-19(3,16(23)24)13(18)6-10-20(14,12-17)11-15(22)21-17/h13-14H,4-12H2,1-3H3,(H,21,22)(H,23,24)/t13-,14-,17-,18+,19+,20-/m0/s1
InChIKey KGAVVPASANRIHQ-XGBBNYNSSA-N
Literature Reference Author B.H.CHOU,L.M.YANG,S.W.CHANG,F.L.HSU,L.H.WANG,W.K.LIN,P.C.LIU ,S.J.LIN
Literature Reference Citation J.NAT.PROD.,74,1379(2011)
Literature Reference DOI 10.1021/np100915q
Molecular Weight 333.471 g/mol
Sample ID 38412
Solvent C5D5N