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ACACIC-ACID-LACTONE;3-BETA,16-BETA-DIHYDROXY-OLEAN-12-EN-28->21-BETA-LACTONE
SpectraBase Compound ID KT5elDjSIWy
InChI InChI=1S/C30H46O4/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(31)26(3,4)19(27)10-13-28(20,6)29(17,7)15-22(32)30(18)16-23(25)34-24(30)33/h8,18-23,31-32H,9-16H2,1-7H3/t18-,19-,20+,21-,22-,23-,27-,28+,29+,30+/m0/s1
InChIKey GVUMSYCSEREXHD-WPMSXJIASA-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 GPSyGJ6429t
Name ACACIC-ACID-LACTONE;3-BETA,16-BETA-DIHYDROXY-OLEAN-12-EN-28->21-BETA-LACTONE
Compound Number 45
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)14-18-17-8-9-20-27(5)12-11-21(31)26(3,4)19(27)10-13-28(20,6)29(17,7)15-22(32)30(18)16-23(25)34-24(30)33/h8,18-23,31-32H,9-16H2,1-7H3/t18-,19-,20+,21-,22-,23-,27-,28+,29+,30+/m0/s1
InChIKey GVUMSYCSEREXHD-WPMSXJIASA-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 470.693 g/mol
Solvent CDCl3
Source File Reference UWMS5145