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METHYL-8-O-[3',4',5'-TRI-O-ACETYL-BETA-D-XYLOPYRANOSYL]-ENT-8-BETA-HYDROXYLABDAN-15-OATE
SpectraBase Compound ID Chg3aNzCKvb
InChI InChI=1S/C32H52O10/c1-19(17-26(36)37-9)11-12-25-31(7)15-10-14-30(5,6)24(31)13-16-32(25,8)42-29-28(41-22(4)35)27(40-21(3)34)23(18-38-29)39-20(2)33/h19,23-25,27-29H,10-18H2,1-9H3/t19?,23-,24-,25+,27+,28-,29+,31-,32+/m1/s1
InChIKey YETMFMWGBPGYIB-QAROUUKSSA-N
Mol Weight 596.8 g/mol
Molecular Formula C32H52O10
Exact Mass 596.356048 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2XhqO2MnDYG
Name METHYL-8-O-[3',4',5'-TRI-O-ACETYL-BETA-D-XYLOPYRANOSYL]-ENT-8-BETA-HYDROXYLABDAN-15-OATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H52O10
InChI InChI=1S/C32H52O10/c1-19(17-26(36)37-9)11-12-25-31(7)15-10-14-30(5,6)24(31)13-16-32(25,8)42-29-28(41-22(4)35)27(40-21(3)34)23(18-38-29)39-20(2)33/h19,23-25,27-29H,10-18H2,1-9H3/t19?,23-,24-,25+,27+,28-,29+,31-,32+/m1/s1
InChIKey YETMFMWGBPGYIB-QAROUUKSSA-N
Literature Reference Author J.R.SAAD,O.S.GIORDANO,C.M.CERDA-GARCIA-ROJAS,J.J.TRUJILLO-SE RRATO,P.JOSEPH-NATHA
Literature Reference Citation J.NAT.PROD.,56,1944(1993)
Literature Reference DOI 10.1021/np50101a012
Molecular Weight 596.759 g/mol
Solvent CDCl3
Source File Reference UWCS5024