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FATSICARPAIN_D;3-ALPHA-HYDROXYOLEAN-9,12-DIEN-28-OIC_ACID
SpectraBase Compound ID HbjnzzBIVSy
InChI InChI=1S/C30H46O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8-9,20-21,23,31H,10-18H2,1-7H3,(H,32,33)/t20-,21-,23+,27-,28+,29+,30-/m0/s1
InChIKey KICUTMUDQMLBSF-DDJNVBRHSA-N
Mol Weight 454.7 g/mol
Molecular Formula C30H46O3
Exact Mass 454.344695 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D5qNBcmE2qa
Name FATSICARPAIN_D;3-ALPHA-HYDROXYOLEAN-9,12-DIEN-28-OIC_ACID
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H46O3
InChI InChI=1S/C30H46O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8-9,20-21,23,31H,10-18H2,1-7H3,(H,32,33)/t20-,21-,23+,27-,28+,29+,30-/m0/s1
InChIKey KICUTMUDQMLBSF-DDJNVBRHSA-N
Literature Reference Author S.Y.CHENG,C.M.WANG,Y.M.HSU,T.J.HUANG,S.C.CHOU,E.H.LIN,C.H.CH OU
Literature Reference Citation J.NAT.PROD.,74,1744(2011)
Literature Reference DOI 10.1021/np2002435
Molecular Weight 454.693 g/mol
Sample ID 39100
Solvent CDCl3