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ERGOSTERYL-ACETATE;(VITAMIN-D-DERIVATIVE)
SpectraBase Compound ID 79mUfstdv8N
InChI InChI=1S/C30H46O2/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7/h8-11,19-21,24,26-28H,12-18H2,1-7H3/b9-8+/t20-,21-,24+,26-,27+,28+,29+,30-/m1/s1
InChIKey NGEVNHYPVVOXPB-DDZIEDQUSA-N
Mol Weight 438.7 g/mol
Molecular Formula C30H46O2
Exact Mass 438.349781 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CxLBhfkTZg9
Name ERGOSTEROL-ACETATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H46O2
InChI InChI=1S/C30H46O2/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7/h8-11,19-21,24,26-28H,12-18H2,1-7H3/b9-8+/t20-,21-,24+,26-,27+,28+,29+,30-/m1/s1
InChIKey NGEVNHYPVVOXPB-DDZIEDQUSA-N
Literature Reference Author J.L.C.WRIGHT
Literature Reference Citation CAN.J.CHEM.,57,2569(1979)
Literature Reference DOI 10.1139/v79-415
Molecular Weight 438.694 g/mol
Solvent CDCl3
Source File Reference UWED2119