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5-ALPHA-ERGOSTA-7,9(11),22-TRIEN-3-BETA-5-DIOL-3-ACETAT
SpectraBase Compound ID EvP7gyEU4FA
InChI InChI=1S/C30H46O3/c1-19(2)20(3)8-9-21(4)25-10-11-26-24-13-17-30(32)18-23(33-22(5)31)12-16-29(30,7)27(24)14-15-28(25,26)6/h8-9,13-14,19-21,23,25-26,32H,10-12,15-18H2,1-7H3/b9-8+/t20?,21-,23+,25-,26+,28-,29-,30-/m1/s1
InChIKey UJZUPCLEQOADBH-QMUVGDGUSA-N
Mol Weight 454.7 g/mol
Molecular Formula C30H46O3
Exact Mass 454.344695 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GxECFZIkpJy
Name 5-ALPHA-ERGOSTA-7,9(11),22-TRIEN-3-BETA-5-DIOL-3-ACETAT
Compound Number 281
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H46O3
InChI InChI=1S/C30H46O3/c1-19(2)20(3)8-9-21(4)25-10-11-26-24-13-17-30(32)18-23(33-22(5)31)12-16-29(30,7)27(24)14-15-28(25,26)6/h8-9,13-14,19-21,23,25-26,32H,10-12,15-18H2,1-7H3/b9-8+/t20?,21-,23+,25-,26+,28-,29-,30-/m1/s1
InChIKey UJZUPCLEQOADBH-QMUVGDGUSA-N
Literature Reference Author J.W.BLUNT,J.B.STOTHERS
Literature Reference Citation ORG.MAGN.RES.,9,439(1977)
Literature Reference DOI 10.1002/mrc.1270090802
Molecular Weight 454.693 g/mol
Solvent CHCl3
Source File Reference UNIW3409