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22-EPICALAMISTRIN_B

View entire compound with spectra: 1 NMR

22-EPICALAMISTRIN_B
SpectraBase Compound ID 4e6iJ1JzBRN
InChI InChI=1S/C39H70O7/c1-4-5-6-7-8-9-14-17-20-23-26-35(42)36-27-28-37(46-36)38(45-32(3)40)30-34(41)25-22-19-16-13-11-10-12-15-18-21-24-33-29-31(2)44-39(33)43/h29,31,34-38,41-42H,4-28,30H2,1-3H3/t31?,34-,35-,36-,37-,38-/m0/s1
InChIKey FPQIHOHGIGXPEO-IFRCGXQOSA-N
Mol Weight 651.0 g/mol
Molecular Formula C39H70O7
Exact Mass 650.512155 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1TYntP1KaHF
Name 22-EPICALAMISTRIN_B
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H70O7
InChI InChI=1S/C39H70O7/c1-4-5-6-7-8-9-14-17-20-23-26-35(42)36-27-28-37(46-36)38(45-32(3)40)30-34(41)25-22-19-16-13-11-10-12-15-18-21-24-33-29-31(2)44-39(33)43/h29,31,34-38,41-42H,4-28,30H2,1-3H3/t31?,34-,35-,36-,37-,38-/m0/s1
InChIKey FPQIHOHGIGXPEO-IFRCGXQOSA-N
Literature Reference Author G.R.PETTIT,V.J.R.V.MUKKU,G.CRAGG,D.L.HERALD,J.C.KNIGHT,C.L.H ERALD,J.C.CHAPUIS
Literature Reference Citation J.NAT.PROD.,71,130(2008)
Literature Reference DOI 10.1021/np068050q
Molecular Weight 650.981 g/mol
Sample ID 27232
Solvent Unknown