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3-BETA-(META-METHYLBENZOYLOXY)-PREGNA-4,16-DIENE-6,20-DIONE

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3-BETA-(META-METHYLBENZOYLOXY)-PREGNA-4,16-DIENE-6,20-DIONE
SpectraBase Compound ID 2dn2c8ZatFu
InChI InChI=1S/C29H34O4/c1-17-6-5-7-19(14-17)27(32)33-20-10-12-29(4)24-11-13-28(3)22(18(2)30)8-9-23(28)21(24)16-26(31)25(29)15-20/h5-8,14-15,20-21,23-24H,9-13,16H2,1-4H3/t20-,21-,23-,24-,28+,29+/m0/s1
InChIKey KXFWHYRSVQEMQP-OYLQBTODSA-N
Mol Weight 446.6 g/mol
Molecular Formula C29H34O4
Exact Mass 446.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KJ28oHbejKl
Name 3-BETA-(META-METHYLBENZOYLOXY)-PREGNA-4,16-DIENE-6,20-DIONE
Compound Number 10D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H34O4
InChI InChI=1S/C29H34O4/c1-17-6-5-7-19(14-17)27(32)33-20-10-12-29(4)24-11-13-28(3)22(18(2)30)8-9-23(28)21(24)16-26(31)25(29)15-20/h5-8,14-15,20-21,23-24H,9-13,16H2,1-4H3/t20-,21-,23-,24-,28+,29+/m0/s1
InChIKey KXFWHYRSVQEMQP-OYLQBTODSA-N
Literature Reference Author J.LI,H.LI,Y.LI
Literature Reference Citation CHEM.CENTR.J.,4,18,1(2010)
Molecular Weight 446.587 g/mol
Solvent CDCl3
Source File Reference UWIR11799