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1,2-DIHYDRO-5-HYDROXY-9'-R-METHYL-6-ALPHA,7-ALPHA-EPOXY-12-BETA-ACETOXY-9,13,14-ORTHO-1-ALPHA-DECANOATE_RESINIFERONOL-10'-OIC_ACID
SpectraBase Compound ID 1TKikDnIv4R
InChI InChI=1S/C32H46O10/c1-15(2)31-24(38-19(6)34)18(5)32-21-25-28(14-33,39-25)27(36)30(37)22(32)20(17(4)23(30)35)16(3)12-10-8-7-9-11-13-29(41-31,42-32)40-26(21)31/h16-18,20-22,24-27,33,36-37H,1,7-14H2,2-6H3/t16-,17-,18+,20-,21-,22+,24+,25-,26+,27+,28-,29+,30+,31+,32+/m0/s1
InChIKey UGAHMCXUTHWKOB-TUZLCTCUSA-N
Mol Weight 590.7 g/mol
Molecular Formula C32H46O10
Exact Mass 590.309098 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID nEirlPYPPi
Name 1,2-DIHYDRO-5-HYDROXY-9'-R-METHYL-6-ALPHA,7-ALPHA-EPOXY-12-BETA-ACETOXY-9,13,14-ORTHO-1-ALPHA-DECANOATE_RESINIFERONOL-10'-OIC_ACID
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H46O10
InChI InChI=1S/C32H46O10/c1-15(2)31-24(38-19(6)34)18(5)32-21-25-28(14-33,39-25)27(36)30(37)22(32)20(17(4)23(30)35)16(3)12-10-8-7-9-11-13-29(41-31,42-32)40-26(21)31/h16-18,20-22,24-27,33,36-37H,1,7-14H2,2-6H3/t16-,17-,18+,20-,21-,22+,24+,25-,26+,27+,28-,29+,30+,31+,32+/m0/s1
InChIKey UGAHMCXUTHWKOB-TUZLCTCUSA-N
Literature Reference Author P.Y.HAYES,S.CHOW,M.J.SOMERVILLE,M.T.FLETCHER,J.J.DEVOSS
Literature Reference Citation J.NAT.PROD.,73,1907(2010)
Literature Reference DOI 10.1021/np1005746
Molecular Weight 590.711 g/mol
Sample ID 37087
Solvent CDCl3