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12-ALPHA-ACETOXY-16-BETA-HYDROXY-20,24-DIMETHYL-24-OXOSCALARAN-25-AL
SpectraBase Compound ID EC3IpwMEzA4
InChI InChI=1S/C29H46O5/c1-8-26(4)11-9-12-27(5)21(26)10-13-28(6)22(27)15-24(34-18(3)32)29(7)19(16-30)25(17(2)31)20(33)14-23(28)29/h16,19-25,33H,8-15H2,1-7H3/t19-,20-,21-,22+,23-,24-,25-,26-,27-,28+,29+/m0/s1
InChIKey WVRSKIZLQKFGLC-WJGOXMNSSA-N
Mol Weight 474.7 g/mol
Molecular Formula C29H46O5
Exact Mass 474.334525 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 84QPNblRab
Name 12-ALPHA-ACETOXY-16-BETA-HYDROXY-20,24-DIMETHYL-24-OXOSCALARAN-25-AL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H46O5
InChI InChI=1S/C29H46O5/c1-8-26(4)11-9-12-27(5)21(26)10-13-28(6)22(27)15-24(34-18(3)32)29(7)19(16-30)25(17(2)31)20(33)14-23(28)29/h16,19-25,33H,8-15H2,1-7H3/t19-,20-,21-,22+,23-,24-,25-,26-,27-,28+,29+/m0/s1
InChIKey WVRSKIZLQKFGLC-WJGOXMNSSA-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 474.681 g/mol
Solvent CDCl3
Source File Reference UWTS554