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#1;IRITECTOL-A;(2Z)-2-[(2R,3S,4S)-4-HYDROXY-3-[2-(3-[(3E)-1-HYDROXY-4,8-DIMETHYLNONA-3,7-DIENYL]-3-METHYLOXIRAN-2-YL)-ETHYL]-2-(3-HYDROXYPROPYL)-3,4-DIMETHYLCY

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#1;IRITECTOL-A;(2Z)-2-[(2R,3S,4S)-4-HYDROXY-3-[2-(3-[(3E)-1-HYDROXY-4,8-DIMETHYLNONA-3,7-DIENYL]-3-METHYLOXIRAN-2-YL)-ETHYL]-2-(3-HYDROXYPROPYL)-3,4-DIMETHYLCY
SpectraBase Compound ID CcyfRj03iAY
InChI InChI=1S/C30H50O5/c1-21(2)10-8-11-22(3)13-14-26(33)30(7)27(35-30)16-17-28(5)25(12-9-19-31)24(23(4)20-32)15-18-29(28,6)34/h10,13,20,25-27,31,33-34H,8-9,11-12,14-19H2,1-7H3/b22-13+,24-23-/t25-,26-,27?,28+,29+,30?/m1/s1
InChIKey PWIUYVBRAXUOPC-XLYWHJKBSA-N
Mol Weight 490.7 g/mol
Molecular Formula C30H50O5
Exact Mass 490.365825 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hxj95dHh0Y0
Name #1;IRITECTOL-A;(2Z)-2-[(2R,3S,4S)-4-HYDROXY-3-[2-(3-[(3E)-1-HYDROXY-4,8-DIMETHYLNONA-3,7-DIENYL]-3-METHYLOXIRAN-2-YL)-ETHYL]-2-(3-HYDROXYPROPYL)-3,4-DIMETHYLCY
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H50O5
InChI InChI=1S/C30H50O5/c1-21(2)10-8-11-22(3)13-14-26(33)30(7)27(35-30)16-17-28(5)25(12-9-19-31)24(23(4)20-32)15-18-29(28,6)34/h10,13,20,25-27,31,33-34H,8-9,11-12,14-19H2,1-7H3/b22-13+,24-23-/t25-,26-,27?,28+,29+,30?/m1/s1
InChIKey PWIUYVBRAXUOPC-XLYWHJKBSA-N
Literature Reference Author R.FANG,P.J.HOUGHTON,C.LUO,P.J.HYLANDS
Literature Reference Citation PHYTOCHEM.,68,1242(2007)
Literature Reference DOI 10.1016/j.phytochem.2007.02.018
Molecular Weight 490.724 g/mol
Sample ID 62387
Solvent CDCl3