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AJUREPTASIDE-A;8-O-ACETYL-4-BETA-HYDROXY-3-ALPHA-METHOXY-DIHYDRO-HARPAGIDE
SpectraBase Compound ID GSA4ZjyX4vi
InChI InChI=1S/C18H30O13/c1-6(20)31-17(2)4-8(21)18(26)12(17)15(30-16(27-3)13(18)25)29-14-11(24)10(23)9(22)7(5-19)28-14/h7-16,19,21-26H,4-5H2,1-3H3/t7-,8+,9-,10+,11-,12+,13-,14+,15+,16+,17-,18+/m0/s1
InChIKey MXRGTGBSDPJUGH-HOMGGXBQSA-N
Mol Weight 454.43 g/mol
Molecular Formula C18H30O13
Exact Mass 454.168641 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3jC22CZYDoH
Name AJUREPTASIDE-A;8-O-ACETYL-4-BETA-HYDROXY-3-ALPHA-METHOXY-DIHYDRO-HARPAGIDE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H30O13
InChI InChI=1S/C18H30O13/c1-6(20)31-17(2)4-8(21)18(26)12(17)15(30-16(27-3)13(18)25)29-14-11(24)10(23)9(22)7(5-19)28-14/h7-16,19,21-26H,4-5H2,1-3H3/t7-,8+,9-,10+,11-,12+,13-,14+,15+,16+,17-,18+/m0/s1
InChIKey MXRGTGBSDPJUGH-HOMGGXBQSA-N
Literature Reference Author M.ONO,C.FURUSAWA,T.OZONO,K.ODA,S.YASUDA,M.OKAWA,J.KINJO,T.IK EDA,H.MIYASHITA
Literature Reference Citation CHEM.PHARM.BULL.,59,1065(2011)
Literature Reference DOI 10.1248/cpb.59.1065
Molecular Weight 454.428 g/mol
Source File Reference UWIR3524