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CAMPTOTHECINE
SpectraBase Compound ID 9XuPFkuxVA
InChI InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1
InChIKey VSJKWCGYPAHWDS-FQEVSTJZSA-N
Mol Weight 348.36 g/mol
Molecular Formula C20H16N2O4
Exact Mass 348.111007 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2N9IhFYH6gY
Name Camptothecin
Appearance Yellow amorphous powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16N2O4
InChI InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1
InChIKey VSJKWCGYPAHWDS-FQEVSTJZSA-N
Instrument Name Finnigan-MAT 8000
Ionization Type EI
Literature Reference DOI 10.1021/np0502802
Molecular Weight 348.358 g/mol
Optical Rotation [a]D30 = +29.6 (c = 0.04, CHCl3/MeOH, 4:1)
SMILES O[C@@]1(C(OCC=2C(N3Cc4cc5ccccc5nc4C3=CC12)=O)=O)CC
SPLASH splash10-01ot-0097000000-da5205ff1eb089680fd1
Source of Spectrum G4-68-SM3-1
Wiley ID 1881960