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WITHALONGOLIDE_B_19-ACETATE

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WITHALONGOLIDE_B_19-ACETATE
SpectraBase Compound ID GGtAS75TiIv
InChI InChI=1S/C30H40O7/c1-15-12-23(36-27(34)16(15)2)17(3)20-6-7-21-19-13-26-30(37-26)25(33)9-8-24(32)29(30,14-35-18(4)31)22(19)10-11-28(20,21)5/h8-9,17,19-23,25-26,33H,6-7,10-14H2,1-5H3/t17-,19-,20+,21-,22-,23+,25-,26+,28+,29-,30+/m0/s1
InChIKey VMAMMNKZDNJFJE-QZOJIDNLSA-N
Mol Weight 512.6 g/mol
Molecular Formula C30H40O7
Exact Mass 512.277404 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 17OsrxQLLC4
Name WITHALONGOLIDE_B_19-ACETATE
Compound Number 2A
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H40O7
InChI InChI=1S/C30H40O7/c1-15-12-23(36-27(34)16(15)2)17(3)20-6-7-21-19-13-26-30(37-26)25(33)9-8-24(32)29(30,14-35-18(4)31)22(19)10-11-28(20,21)5/h8-9,17,19-23,25-26,33H,6-7,10-14H2,1-5H3/t17-,19-,20+,21-,22-,23+,25-,26+,28+,29-,30+/m0/s1
InChIKey VMAMMNKZDNJFJE-QZOJIDNLSA-N
Literature Reference Author H.ZHANG,A.K.SAMADI,R.J.GALLAGHER,J.J.ARAYA,X.TONG,V.W.DAY,M. S.COHEN,K.KINDSCHER,
Literature Reference Citation J.NAT.PROD.,74,2532(2011)
Literature Reference DOI 10.1021/np200635r
Molecular Weight 512.643 g/mol
Sample ID 39627
Solvent CDCl3