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12-ALPHA-ACETOXY-16-BETA-(3R'-HYDROXYBUTANOYLOXY)-20,24-DIMETHYL-24-OXOSCALARAN-25-AL
SpectraBase Compound ID JlHiq6kYjTL
InChI InChI=1S/C33H52O7/c1-9-30(5)12-10-13-31(6)24(30)11-14-32(7)25(31)17-27(39-21(4)37)33(8)22(18-34)29(20(3)36)23(16-26(32)33)40-28(38)15-19(2)35/h18-19,22-27,29,35H,9-17H2,1-8H3/t19?,22-,23-,24-,25+,26-,27-,29-,30-,31-,32+,33+/m0/s1
InChIKey CBXFEHUOIQRHBM-SPRMMKEJSA-N
Mol Weight 560.8 g/mol
Molecular Formula C33H52O7
Exact Mass 560.371304 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GgAe0qbYNQP
Name 12-ALPHA-ACETOXY-16-BETA-(3'-HYDROXYBUTANOYLOXY)-20,24-DIMETHYL-24-OXOSCALARAN-25-AL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H52O7
InChI InChI=1S/C33H52O7/c1-9-30(5)12-10-13-31(6)24(30)11-14-32(7)25(31)17-27(39-21(4)37)33(8)22(18-34)29(20(3)36)23(16-26(32)33)40-28(38)15-19(2)35/h18-19,22-27,29,35H,9-17H2,1-8H3/t19?,22-,23-,24-,25+,26-,27-,29-,30-,31-,32+,33+/m0/s1
InChIKey CBXFEHUOIQRHBM-SPRMMKEJSA-N
Literature Reference Author B.F.BOWDEN,J.C.COLL,H.LI,R.C.CAMBIE,M.R.KERNAN,P.R.BERGQUIST
Literature Reference Citation J.NAT.PROD.,55,1234(1992)
Literature Reference DOI 10.1021/np50087a009
Molecular Weight 560.772 g/mol
Solvent CDCl3
Source File Reference UWTS550