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CRASSICAUTINE
SpectraBase Compound ID G8nbZvyXWhd
InChI InChI=1S/C34H49NO10/c1-8-35-16-31(17-39-2)21(36)13-22(41-4)34-20-14-32(38)23(42-5)15-33(44-7,25(28(34)35)26(43-6)27(31)34)24(20)29(32)45-30(37)18-9-11-19(40-3)12-10-18/h9-12,20-29,36,38H,8,13-17H2,1-7H3/t20?,21-,22+,23+,24?,25?,26+,27?,28?,29-,31+,32+,33-,34+/m1/s1
InChIKey OFXAETWIISXNGM-FXPZWTLUSA-N
Mol Weight 631.8 g/mol
Molecular Formula C34H49NO10
Exact Mass 631.335647 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4yHmbLItGLW
Name CRASSICAUTINE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H49NO10
InChI InChI=1S/C34H49NO10/c1-8-35-16-31(17-39-2)21(36)13-22(41-4)34-20-14-32(38)23(42-5)15-33(44-7,25(28(34)35)26(43-6)27(31)34)24(20)29(32)45-30(37)18-9-11-19(40-3)12-10-18/h9-12,20-29,36,38H,8,13-17H2,1-7H3/t20?,21-,22+,23+,24?,25?,26+,27?,28?,29-,31+,32+,33-,34+/m1/s1
InChIKey OFXAETWIISXNGM-FXPZWTLUSA-N
Literature Reference Author F.P.WANG,S.W.PELLETIER
Literature Reference Citation J.NAT.PROD.,50,55(1987)
Literature Reference DOI 10.1021/np50049a009
Molecular Weight 631.764 g/mol
Solvent CDCl3
Source File Reference UWED17499