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REGELONE;22-HYDROXY-3,19,24-TRINOR-D:A-FRIEDOOLEANANE-1(10),5,7-TRIENE-2-OIC-ACID-METHYLESTER
SpectraBase Compound ID 8yhLUyerppq
InChI InChI=1S/C28H38O5/c1-16-14-21-26(4,24(32)23(16)31)11-13-27(5)20-9-8-18(17(2)29)19(15-22(30)33-7)25(20,3)10-12-28(21,27)6/h8-9,15-16,21,24,32H,10-14H2,1-7H3/b19-15-/t16-,21-,24-,25+,26-,27-,28+/m1/s1
InChIKey AXTDWQFUQQFNPB-DSXSKJQRSA-N
Mol Weight 454.6 g/mol
Molecular Formula C28H38O5
Exact Mass 454.271924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 64cRhbWveDK
Name REGELONE;22-HYDROXY-3,19,24-TRINOR-D:A-FRIEDOOLEANANE-1(10),5,7-TRIENE-2-OIC-ACID-METHYLESTER
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H38O5
InChI InChI=1S/C28H38O5/c1-16-14-21-26(4,24(32)23(16)31)11-13-27(5)20-9-8-18(17(2)29)19(15-22(30)33-7)25(20,3)10-12-28(21,27)6/h8-9,15-16,21,24,32H,10-14H2,1-7H3/b19-15-/t16-,21-,24-,25+,26-,27-,28+/m1/s1
InChIKey AXTDWQFUQQFNPB-DSXSKJQRSA-N
Literature Reference Author Y.TAKAISHI,K.MIYAGI,K.KAWAZOE,K.NAKANO,K.LI,H.DUAN
Literature Reference Citation PHYTOCHEM.,45,975(1997)
Literature Reference DOI 10.1016/S0031-9422(96)00860-6
Molecular Weight 454.607 g/mol
Solvent CDCl3
Source File Reference UWPA1070