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3-OXO-1,4,22-ERGOSTA-TRIEN-26-OIC-ACID-METHYLESTER
SpectraBase Compound ID 8uFL3jdIIEt
InChI InChI=1S/C29H42O3/c1-18(20(3)27(31)32-6)7-8-19(2)24-11-12-25-23-10-9-21-17-22(30)13-15-28(21,4)26(23)14-16-29(24,25)5/h7-8,13,15,17-20,23-26H,9-12,14,16H2,1-6H3/b8-7+/t18-,19+,20?,23-,24+,25-,26-,28?,29?/m0/s1
InChIKey MVINIBXXKDAJCX-AMEBDMKRSA-N
Mol Weight 438.7 g/mol
Molecular Formula C29H42O3
Exact Mass 438.313395 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FM9dMVVb8RW
Name 3-OXO-1,4,22-ERGOSTA-TRIEN-26-OIC-ACID-METHYLESTER
Compound Number III
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H42O3
InChI InChI=1S/C29H42O3/c1-18(20(3)27(31)32-6)7-8-19(2)24-11-12-25-23-10-9-21-17-22(30)13-15-28(21,4)26(23)14-16-29(24,25)5/h7-8,13,15,17-20,23-26H,9-12,14,16H2,1-6H3/b8-7+/t18-,19+,20?,23-,24+,25-,26-,28?,29?/m0/s1
InChIKey MVINIBXXKDAJCX-AMEBDMKRSA-N
Literature Reference Author G.AMBRUS,E.ILKOY,A.JEKKEL,G.HORVATH,Z.BOECSKEI
Literature Reference Citation STEROIDS,60,626(1995)
Literature Reference DOI 10.1016/0039-128x(95)00078-5
Molecular Weight 438.651 g/mol
Source File Reference UWLU73852