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METHYL-ASIATATE;METHYL-2-ALPHA,3-BETA,23-TRIHYDROXY-URS-12-EN-28-OATE
SpectraBase Compound ID 6to6JLdu5nV
InChI InChI=1S/C31H50O5/c1-18-10-13-31(26(35)36-7)15-14-29(5)20(24(31)19(18)2)8-9-23-27(3)16-21(33)25(34)28(4,17-32)22(27)11-12-30(23,29)6/h8,18-19,21-25,32-34H,9-17H2,1-7H3/t18-,19+,21-,22-,23-,24+,25+,27+,28+,29-,30-,31+/m1/s1
InChIKey PTVQHIGQUFDPIQ-DKNVWTRZSA-N
Mol Weight 502.7 g/mol
Molecular Formula C31H50O5
Exact Mass 502.365825 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7pKgtbwohl
Name METHYL-ASIATATE;METHYL-2-ALPHA,3-BETA,23-TRIHYDROXY-URS-12-EN-28-OATE
Compound Number 228
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H50O5
InChI InChI=1S/C31H50O5/c1-18-10-13-31(26(35)36-7)15-14-29(5)20(24(31)19(18)2)8-9-23-27(3)16-21(33)25(34)28(4,17-32)22(27)11-12-30(23,29)6/h8,18-19,21-25,32-34H,9-17H2,1-7H3/t18-,19+,21-,22-,23-,24+,25+,27+,28+,29-,30-,31+/m1/s1
InChIKey PTVQHIGQUFDPIQ-DKNVWTRZSA-N
Literature Reference Author S.B.MAHATO,A.P.KUNDU
Literature Reference Citation PHYTOCHEM.,37,1517(1994)
Literature Reference DOI 10.1016/S0031-9422(00)89569-2
Molecular Weight 502.735 g/mol
Solvent CDCl3
Source File Reference UWMS5328