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12-ALPHA-HYDROXY-BUFALIN
SpectraBase Compound ID 19JWZyurrlW
InChI InChI=1S/C24H34O5/c1-22-9-7-16(25)11-15(22)4-5-18-19(22)12-20(26)23(2)17(8-10-24(18,23)28)14-3-6-21(27)29-13-14/h3,6,13,15-20,25-26,28H,4-5,7-12H2,1-2H3/t15-,16+,17-,18-,19?,20+,22+,23+,24+/m1/s1
InChIKey MDAMKPSXKUKLHO-ZRJXWHHBSA-N
Mol Weight 402.5 g/mol
Molecular Formula C24H34O5
Exact Mass 402.240624 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DSCTFnfer5u
Name 12-ALPHA-HYDROXY-BUFALIN
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H34O5
InChI InChI=1S/C24H34O5/c1-22-9-7-16(25)11-15(22)4-5-18-19(22)12-20(26)23(2)17(8-10-24(18,23)28)14-3-6-21(27)29-13-14/h3,6,13,15-20,25-26,28H,4-5,7-12H2,1-2H3/t15-,16+,17-,18-,19?,20+,22+,23+,24+/m1/s1
InChIKey MDAMKPSXKUKLHO-ZRJXWHHBSA-N
Literature Reference Author M.YE,J.HAN,G.TU,D.AN,D.GUO
Literature Reference Citation J.NAT.PROD.,68,626(2005)
Literature Reference DOI 10.1021/np0500023
Molecular Weight 402.531 g/mol
Solvent DMSO-D6
Source File Reference UWMZ9372