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13-BENZYL-HYDROGEN-12,13-SECO-TOTARA-8(14),9(11)-DIENE-12,13-DIOATE
SpectraBase Compound ID 8zWDp3Vt0dU
InChI InChI=1S/C27H36O4/c1-18(2)24(25(30)31-17-19-10-7-6-8-11-19)20-12-13-22-26(3,4)14-9-15-27(22,5)21(20)16-23(28)29/h6-8,10-11,16,18,22H,9,12-15,17H2,1-5H3,(H,28,29)/b21-16-,24-20+/t22?,27-/m1/s1
InChIKey AOSZZSRHXFVLIL-TXGLRLQLSA-N
Mol Weight 424.6 g/mol
Molecular Formula C27H36O4
Exact Mass 424.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3zi7aAcYMHb
Name 13-BENZYL-HYDROGEN-12,13-SECO-TOTARA-8(14),9(11)-DIENE-12,13-DIOATE
Compound Number 28
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H36O4
InChI InChI=1S/C27H36O4/c1-18(2)24(25(30)31-17-19-10-7-6-8-11-19)20-12-13-22-26(3,4)14-9-15-27(22,5)21(20)16-23(28)29/h6-8,10-11,16,18,22H,9,12-15,17H2,1-5H3,(H,28,29)/b21-16-,24-20+/t22?,27-/m1/s1
InChIKey AOSZZSRHXFVLIL-TXGLRLQLSA-N
Literature Reference Author J.G.BENDALL,R.C.CAMBIE,P.S.RUTLEDGE,P.D.WOODGATE
Literature Reference Citation AUSTR.J.CHEM.,45,1005(1992)
Literature Reference DOI 10.1071/ch9921005
Molecular Weight 424.580 g/mol
Solvent CDCl3
Source File Reference UWVP6281