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7,8-Dihydro-penstemide pentaacetate

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7,8-Dihydro-penstemide pentaacetate
SpectraBase Compound ID KU6VyJ47dyu
InChI InChI=1S/C31H44O15/c1-15(2)10-25(37)46-30-26-21(11-38-16(3)32)8-9-23(26)22(12-40-30)13-41-31-29(44-20(7)36)28(43-19(6)35)27(42-18(5)34)24(45-31)14-39-17(4)33/h12,15,21,23-24,26-31H,8-11,13-14H2,1-7H3/t21?,23?,24-,26?,27-,28+,29-,30?,31-/m0/s1
InChIKey HLZXJWSWCZPPAS-BMHFPXDISA-N
Mol Weight 656.7 g/mol
Molecular Formula C31H44O15
Exact Mass 656.268021 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CCdepCvZDuY
Name 7,8-Dihydro-penstemide pentaacetate
Comments C16 SIGNAL ASSIGNED TO 61.5 PPM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C31H44O15
InChI InChI=1S/C31H44O15/c1-15(2)10-25(37)46-30-26-21(11-38-16(3)32)8-9-23(26)22(12-40-30)13-41-31-29(44-20(7)36)28(43-19(6)35)27(42-18(5)34)24(45-31)14-39-17(4)33/h12,15,21,23-24,26-31H,8-11,13-14H2,1-7H3/t21?,23?,24-,26?,27-,28+,29-,30?,31-/m0/s1
InChIKey HLZXJWSWCZPPAS-BMHFPXDISA-N
Literature Reference S. Damtoft, S. Jensen, Phytochem. 20, 2717 (1981).
NMR Standard see comment
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3