For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

CALAMISTRIN_B

View entire compound with spectra: 1 NMR

CALAMISTRIN_B
SpectraBase Compound ID Ie5ARAJyMgW
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-XZHHMZBZSA-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

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KamWYvW4jiM
Name CALAMISTRIN_B
Compound Number 4
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-XZHHMZBZSA-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 27233
Solvent Unknown