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#2;IRITECTOL-B;(2Z)-2-[(2R,3S,4S)-4-HYDROXY-3-[(3E)-4-(4-HYDROXY-5-METHYL-5-(4-METHYLPENT-3-ENYL)-TETRAHYDROFURAN-2-YL)-PENT-3-ENYL]-2-(3-HYDROXYPROPYL)-3,4-DI

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#2;IRITECTOL-B;(2Z)-2-[(2R,3S,4S)-4-HYDROXY-3-[(3E)-4-(4-HYDROXY-5-METHYL-5-(4-METHYLPENT-3-ENYL)-TETRAHYDROFURAN-2-YL)-PENT-3-ENYL]-2-(3-HYDROXYPROPYL)-3,4-DI
SpectraBase Compound ID 7S4NNWQ5fLt
InChI InChI=1S/C30H50O5/c1-21(2)11-8-16-29(6)27(33)19-26(35-29)22(3)12-9-15-28(5)25(13-10-18-31)24(23(4)20-32)14-17-30(28,7)34/h11-12,20,25-27,31,33-34H,8-10,13-19H2,1-7H3/b22-12+,24-23-/t25-,26-,27-,28+,29+,30+/m1/s1
InChIKey DFJMIRLFDMBSHL-ZSRWWPQZSA-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 Ag3VaPCT9PK
Name #2;IRITECTOL-B;(2Z)-2-[(2R,3S,4S)-4-HYDROXY-3-[(3E)-4-(4-HYDROXY-5-METHYL-5-(4-METHYLPENT-3-ENYL)-TETRAHYDROFURAN-2-YL)-PENT-3-ENYL]-2-(3-HYDROXYPROPYL)-3,4-DI
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)11-8-16-29(6)27(33)19-26(35-29)22(3)12-9-15-28(5)25(13-10-18-31)24(23(4)20-32)14-17-30(28,7)34/h11-12,20,25-27,31,33-34H,8-10,13-19H2,1-7H3/b22-12+,24-23-/t25-,26-,27-,28+,29+,30+/m1/s1
InChIKey DFJMIRLFDMBSHL-ZSRWWPQZSA-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 62388
Solvent CDCl3