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(+)-(23-E),25-HYDROPEROXYTIRUCALLA-8,23-DIEN-3-BETA-OL-7,11-DIONE
SpectraBase Compound ID HnhPiExDjaM
InChI InChI=1S/C30H46O5/c1-18(10-9-13-26(2,3)35-34)19-11-15-29(7)25-20(31)16-22-27(4,5)23(33)12-14-28(22,6)24(25)21(32)17-30(19,29)8/h9,13,18-19,22-23,33-34H,10-12,14-17H2,1-8H3/b13-9+/t18-,19-,22?,23-,28-,29+,30-/m0/s1
InChIKey AAWUBULPPJPQDA-LXNUTHORSA-N
Mol Weight 486.7 g/mol
Molecular Formula C30H46O5
Exact Mass 486.334525 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8zMtR4lt7Uc
Name (+)-(23-E),25-HYDROPEROXYTIRUCALLA-8,23-DIEN-3-BETA-OL-7,11-DIONE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H46O5
InChI InChI=1S/C30H46O5/c1-18(10-9-13-26(2,3)35-34)19-11-15-29(7)25-20(31)16-22-27(4,5)23(33)12-14-28(22,6)24(25)21(32)17-30(19,29)8/h9,13,18-19,22-23,33-34H,10-12,14-17H2,1-8H3/b13-9+/t18-,19-,22?,23-,28-,29+,30-/m0/s1
InChIKey AAWUBULPPJPQDA-LXNUTHORSA-N
Literature Reference Author W.XU,C.ZHU,W.CHENG,X.FAN,X.CHEN,S.YANG,Y.GUO,F.YE,J.SHI
Literature Reference Citation J.NAT.PROD.,72,1620(2009)
Literature Reference DOI 10.1021/np900305j
Molecular Weight 486.692 g/mol
Sample ID 33516
Solvent ACETONE-D6