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1-BETA,2-ALPHA,19-ALPHA-TRIHYDROXY-3-OXO-12-URSEN-28-OIC-ACID
SpectraBase Compound ID CIs7adCvXra
InChI InChI=1S/C30H46O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-21,23,31,33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18?,19?,20+,21?,23-,26-,27-,28+,29-,30+/m1/s1
InChIKey DOADEZLVINXRRP-PCOMEVARSA-N
Mol Weight 502.7 g/mol
Molecular Formula C30H46O6
Exact Mass 502.329439 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LEdt0A7AQoq
Name 1-BETA,2-ALPHA,19-ALPHA-TRIHYDROXY-3-OXO-12-URSEN-28-OIC-ACID
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H46O6
InChI InChI=1S/C30H46O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-21,23,31,33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18?,19?,20+,21?,23-,26-,27-,28+,29-,30+/m1/s1
InChIKey DOADEZLVINXRRP-PCOMEVARSA-N
Literature Reference Author T.H.LEE,S.S.LEE,Y.C.KUO,C.H.CHOU
Literature Reference Citation J.NAT.PROD.,64,865(2001)
Literature Reference DOI 10.1021/np0100237
Molecular Weight 502.692 g/mol
Solvent C5D5N
Source File Reference UWSI1330