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CRYPTOMERIDIOL-4-YL-19-ACETOXY-LABDA-8(17),13E-DIEN-19-OATE
SpectraBase Compound ID 6Ac0a40xFPx
InChI InChI=1S/C37H60O5/c1-25(17-23-41-27(3)38)12-14-29-26(2)13-15-30-35(29,7)19-11-20-36(30,8)32(39)42-37(9)21-10-18-34(6)22-16-28(24-31(34)37)33(4,5)40/h17,28-31,40H,2,10-16,18-24H2,1,3-9H3/b25-17+/t28-,29+,30-,31?,34-,35-,36+,37-/m1/s1
InChIKey QIVLWPIJESKEMW-AXPJUASXSA-N
Mol Weight 584.9 g/mol
Molecular Formula C37H60O5
Exact Mass 584.444075 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KI1fU0L3b9n
Name CRYPTOMERIDIOL-4-YL-19-ACETOXY-LABDA-8(17),13E-DIEN-19-OATE
Compound Number 26
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H60O5
InChI InChI=1S/C37H60O5/c1-25(17-23-41-27(3)38)12-14-29-26(2)13-15-30-35(29,7)19-11-20-36(30,8)32(39)42-37(9)21-10-18-34(6)22-16-28(24-31(34)37)33(4,5)40/h17,28-31,40H,2,10-16,18-24H2,1,3-9H3/b25-17+/t28-,29+,30-,31?,34-,35-,36+,37-/m1/s1
InChIKey QIVLWPIJESKEMW-AXPJUASXSA-N
Literature Reference Author W.C.SU,J.M.FANG,Y.S.CHENG
Literature Reference Citation PHYTOCHEM.,37,1109(1994)
Literature Reference DOI 10.1016/S0031-9422(00)89538-2
Molecular Weight 584.880 g/mol
Solvent CDCl3
Source File Reference UWLU24026