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FATSICARPAIN_A;3-ALPHA,23-DIHYDROXYOLEAN-11,13-(18)-DIEN-28-OIC_ACID
SpectraBase Compound ID 5kCNfakEQRT
InChI InChI=1S/C30H46O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7-8,21-23,31-32H,9-18H2,1-6H3,(H,33,34)/t21-,22-,23-,26+,27+,28-,29-,30+/m1/s1
InChIKey ZMKQRHHJEZOFLT-KFYXPMKRSA-N
Mol Weight 470.7 g/mol
Molecular Formula C30H46O4
Exact Mass 470.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5RJyvsMdsCM
Name FATSICARPAIN_A;3-ALPHA,23-DIHYDROXYOLEAN-11,13-(18)-DIEN-28-OIC_ACID
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H46O4
InChI InChI=1S/C30H46O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7-8,21-23,31-32H,9-18H2,1-6H3,(H,33,34)/t21-,22-,23-,26+,27+,28-,29-,30+/m1/s1
InChIKey ZMKQRHHJEZOFLT-KFYXPMKRSA-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 470.693 g/mol
Sample ID 39097
Solvent CDCl3