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CANNABISIN_D_TETRAACETATE

View entire compound with spectra: 1 NMR

CANNABISIN_D_TETRAACETATE
SpectraBase Compound ID IfW94ITu4Q3
InChI InChI=1S/C44H44N2O12/c1-25(47)55-33-12-7-29(8-13-33)17-19-45-43(51)36-21-32-23-39(54-6)40(58-28(4)50)24-35(32)41(31-11-16-37(57-27(3)49)38(22-31)53-5)42(36)44(52)46-20-18-30-9-14-34(15-10-30)56-26(2)48/h7-16,21-24,41-42H,17-20H2,1-6H3,(H,45,51)(H,46,52)/t41-,42-/m1/s1
InChIKey NUJUKZBTODPQNZ-NCRNUEESSA-N
Mol Weight 792.8 g/mol
Molecular Formula C44H44N2O12
Exact Mass 792.289425 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Vy3ixI85QX
Name CANNABISIN_D_TETRAACETATE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H44N2O12
InChI InChI=1S/C44H44N2O12/c1-25(47)55-33-12-7-29(8-13-33)17-19-45-43(51)36-21-32-23-39(54-6)40(58-28(4)50)24-35(32)41(31-11-16-37(57-27(3)49)38(22-31)53-5)42(36)44(52)46-20-18-30-9-14-34(15-10-30)56-26(2)48/h7-16,21-24,41-42H,17-20H2,1-6H3,(H,45,51)(H,46,52)/t41-,42-/m1/s1
InChIKey NUJUKZBTODPQNZ-NCRNUEESSA-N
Literature Reference Author I.SAKAKIBARA,Y.IKEYA,K.HAYASHI,H.MITSUHASHI
Literature Reference Citation PHYTOCHEM.,31,3219(1992)
Literature Reference DOI 10.1016/0031-9422(92)83479-I
Molecular Weight 792.840 g/mol
Solvent CDCl3
Source File Reference UWMZ21560