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17,19-DIHYDROXY-18-METHOXY-10-ISOPROPYL-14-METHYL-[12]-CYTOCHALASA-6,13-DIEN-1,21-DIONE;ASPOCHALASIN-K
SpectraBase Compound ID EvcfjH3twzT
InChI InChI=1S/C25H39NO5/c1-13(2)9-18-22-16(5)15(4)11-17-10-14(3)7-8-19(27)23(31-6)20(28)12-21(29)25(17,22)24(30)26-18/h10-11,13,16-20,22-23,27-28H,7-9,12H2,1-6H3,(H,26,30)/b14-10+/t16-,17+,18+,19?,20?,22?,23?,25-/m1/s1
InChIKey VDFBOYQHOXIVOC-WFHPQJGQSA-N
Mol Weight 433.6 g/mol
Molecular Formula C25H39NO5
Exact Mass 433.282823 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6aGG2vCwZQb
Name 17,19-DIHYDROXY-18-METHOXY-10-ISOPROPYL-14-METHYL-[12]-CYTOCHALASA-6,13-DIEN-1,21-DIONE;ASPOCHALASIN-K
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H39NO5
InChI InChI=1S/C25H39NO5/c1-13(2)9-18-22-16(5)15(4)11-17-10-14(3)7-8-19(27)23(31-6)20(28)12-21(29)25(17,22)24(30)26-18/h10-11,13,16-20,22-23,27-28H,7-9,12H2,1-6H3,(H,26,30)/b14-10+/t16-,17+,18+,19?,20?,22?,23?,25-/m1/s1
InChIKey VDFBOYQHOXIVOC-WFHPQJGQSA-N
Literature Reference Author G.X.ZHOU,E.M.K.WIJERATNE,D.BIGELOW,L.S.PIERSON,H.D.VANETTEN, A.A.L.GUNATILAKA
Literature Reference Citation J.NAT.PROD.,67,328(2004)
Literature Reference DOI 10.1021/np030353m
Molecular Weight 433.588 g/mol
Solvent CDCl3
Source File Reference UWKP4054