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Cycloeucalenol vernolitate
SpectraBase Compound ID GZgRZhrhMSi
InChI InChI=1S/C48H80O3/c1-9-10-17-20-41-42(50-41)21-18-15-13-11-12-14-16-19-22-44(49)51-40-28-30-47-33-48(47)32-31-45(7)38(36(5)24-23-35(4)34(2)3)27-29-46(45,8)43(48)26-25-39(47)37(40)6/h15,18,34,36-43H,4,9-14,16-17,19-33H2,1-3,5-8H3/b18-15-/t36?,37-,38?,39?,40-,41?,42?,43?,45+,46-,47+,48-/m0/s1
InChIKey DQNQHBPMYYLQDU-YIBCKGQUSA-N
Mol Weight 705.2 g/mol
Molecular Formula C48H80O3
Exact Mass 704.610746 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3aD6u5vuIEy
Name CYCLOEUCALENOL-VERNOLITATE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H80O3
InChI InChI=1S/C48H80O3/c1-9-10-17-20-41-42(50-41)21-18-15-13-11-12-14-16-19-22-44(49)51-40-28-30-47-33-48(47)32-31-45(7)38(36(5)24-23-35(4)34(2)3)27-29-46(45,8)43(48)26-25-39(47)37(40)6/h15,18,34,36-43H,4,9-14,16-17,19-33H2,1-3,5-8H3/b18-15-/t36?,37-,38?,39?,40-,41?,42?,43?,45+,46-,47+,48-/m0/s1
InChIKey DQNQHBPMYYLQDU-YIBCKGQUSA-N
Literature Reference Author C.K.LEE,M.H.CHANG
Literature Reference Citation J.CHIN.CHEM.SOC.,47,555(2000)
Literature Reference DOI 10.1002/jccs.200000074
Molecular Weight 705.161 g/mol
Solvent CDCl3
Source File Reference UWMS3303