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ENDO-3-ALLYL-3-HYDROXYMETHYL-6-OXO-3A,4-DIPHENYL-2,3,3A,6-TETRAHYDRO-(3AA,6AA)-1H-CYCLOPENTA-[B]-PYRROL-5,6A-DICARBOXYLIC-ACID-DIMETHYLESTER
SpectraBase Compound ID LUPv53JUa1G
InChI InChI=1S/C27H27NO6/c1-4-15-28-16-20(17-29)26(19-13-9-6-10-14-19)22(18-11-7-5-8-12-18)21(24(31)33-2)23(30)27(26,28)25(32)34-3/h4-14,20,29H,1,15-17H2,2-3H3/t20-,26-,27-/m1/s1
InChIKey WSOHTOBRBMQYSY-LNYUQPRGSA-N
Mol Weight 461.51 g/mol
Molecular Formula C27H27NO6
Exact Mass 461.183838 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BluSub3kwcH
Name ENDO-3-ALLYL-3-HYDROXYMETHYL-6-OXO-3A,4-DIPHENYL-2,3,3A,6-TETRAHYDRO-(3AA,6AA)-1H-CYCLOPENTA-[B]-PYRROL-5,6A-DICARBOXYLIC-ACID-DIMETHYLESTER
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H27NO6
InChI InChI=1S/C27H27NO6/c1-4-15-28-16-20(17-29)26(19-13-9-6-10-14-19)22(18-11-7-5-8-12-18)21(24(31)33-2)23(30)27(26,28)25(32)34-3/h4-14,20,29H,1,15-17H2,2-3H3/t20-,26-,27-/m1/s1
InChIKey WSOHTOBRBMQYSY-LNYUQPRGSA-N
Literature Reference Author Y.YOSHITAKE,K.YAMAGUCHI,C.KAI,T.AKIYAMA,C.HANDA,T.JIKYO,K.HA RANO
Literature Reference Citation J.ORG.CHEM.,66,8902(2001)
Literature Reference DOI 10.1021/jo015941o
Molecular Weight 461.514 g/mol
Solvent CDCl3
Source File Reference UWVN26574