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12-O-ACETYLPSEURATA_B;3-ALPHA,7-ALPHA,14-BETA-TRIHYDROXY-12-ALPHA-ACETOXY-ENT-KAUR-16-EN-15-ONE
SpectraBase Compound ID 18X5qomMbSt
InChI InChI=1S/C22H32O6/c1-10-17-12(28-11(2)23)8-14-21(5)7-6-15(24)20(3,4)13(21)9-16(25)22(14,18(10)26)19(17)27/h12-17,19,24-25,27H,1,6-9H2,2-5H3/t12-,13+,14-,15+,16+,17+,19+,21+,22-/m0/s1
InChIKey ZQERZRVPBSVQTR-XTZNAQLUSA-N
Mol Weight 392.5 g/mol
Molecular Formula C22H32O6
Exact Mass 392.219889 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6sIX0cGtUZn
Name 12-O-ACETYLPSEURATA_B;3-ALPHA,7-ALPHA,14-BETA-TRIHYDROXY-12-ALPHA-ACETOXY-ENT-KAUR-16-EN-15-ONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H32O6
InChI InChI=1S/C22H32O6/c1-10-17-12(28-11(2)23)8-14-21(5)7-6-15(24)20(3,4)13(21)9-16(25)22(14,18(10)26)19(17)27/h12-17,19,24-25,27H,1,6-9H2,2-5H3/t12-,13+,14-,15+,16+,17+,19+,21+,22-/m0/s1
InChIKey ZQERZRVPBSVQTR-XTZNAQLUSA-N
Literature Reference Author Y.ZHAO,J.X.PU,S.X.HUANG,L.S.DING,Y.L.WU,X.LI,L.B.YANG,W.L.XI AO,G.Q.CHEN,H.D.SUN
Literature Reference Citation J.NAT.PROD.,72,988(2009)
Literature Reference DOI 10.1021/np9000366
Molecular Weight 392.492 g/mol
Sample ID 32650
Solvent C5D5N