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ROLLINECIN-A
SpectraBase Compound ID DquWeUFOJxW
InChI InChI=1S/C37H68O7/c1-3-4-5-6-7-8-9-13-16-19-22-33(40)35-25-26-36(44-35)34(41)24-23-31(38)20-17-14-11-10-12-15-18-21-32(39)28-30-27-29(2)43-37(30)42/h27,29,31-36,38-41H,3-26,28H2,1-2H3/t29-,31?,32+,33-,34+,35+,36+/m0/s1
InChIKey XNZJLZFJXAKNCP-ONCQKBEYSA-N
Mol Weight 624.9 g/mol
Molecular Formula C37H68O7
Exact Mass 624.496505 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7LBJBDdvS7q
Name ROLLINECIN-B
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H68O7
InChI InChI=1S/C37H68O7/c1-3-4-5-6-7-8-9-13-16-19-22-33(40)35-25-26-36(44-35)34(41)24-23-31(38)20-17-14-11-10-12-15-18-21-32(39)28-30-27-29(2)43-37(30)42/h27,29,31-36,38-41H,3-26,28H2,1-2H3/t29-,31?,32+,33-,34+,35+,36+/m0/s1
InChIKey XNZJLZFJXAKNCP-ONCQKBEYSA-N
Literature Reference Author G.SHI,Q.YE,K.HE,J.L.MCLAUGHLIN,J.M.MACDOUGAL
Literature Reference Citation J.NAT.PROD.,59,548(1996)
Literature Reference DOI 10.1021/np960128n
Molecular Weight 624.943 g/mol
Solvent CDCl3
Source File Reference UWCS15316