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TREMULACINOL
SpectraBase Compound ID J96gXKBaYVR
InChI InChI=1S/C27H30O11/c28-14-19-21(30)22(31)23(38-24(32)16-8-2-1-3-9-16)25(37-19)36-18-11-5-4-10-17(18)15-35-26(33)27(34)13-7-6-12-20(27)29/h1-5,7-11,13,19-23,25,28-31,34H,6,12,14-15H2/t19-,20?,21-,22+,23-,25-,27?/m1/s1
InChIKey VMTVSRVEQGYRCZ-FQABINTDSA-N
Mol Weight 530.53 g/mol
Molecular Formula C27H30O11
Exact Mass 530.178812 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2cjaosMd1GR
Name TREMULACINOL
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H30O11
InChI InChI=1S/C27H30O11/c28-14-19-21(30)22(31)23(38-24(32)16-8-2-1-3-9-16)25(37-19)36-18-11-5-4-10-17(18)15-35-26(33)27(34)13-7-6-12-20(27)29/h1-5,7-11,13,19-23,25,28-31,34H,6,12,14-15H2/t19-,20?,21-,22+,23-,25-,27?/m1/s1
InChIKey VMTVSRVEQGYRCZ-FQABINTDSA-N
Literature Reference Author T.ISHIKAWA,K.NISHIGAYA,K.TAKAMI,H.UCHIKOSHI,I.S.CHEN,I.L.TSA I
Literature Reference Citation J.NAT.PROD.,67,659(2004)
Literature Reference DOI 10.1021/np034052o
Molecular Weight 530.529 g/mol
Solvent CDCl3
Source File Reference UWMZ7005