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(2-BETA,9-BETA,10-ALPHA,16-ALPHA,20-BETA,24Z)-2-(BETA-D-GLUCOPYRANOSYLOXY)-16,20,26-TRIHYDROXY-9-METHYL-19-NORLANOST-5,24-DIENE-3,11-DIONE
SpectraBase Compound ID KjyQIkPdiPs
InChI InChI=1S/C36H56O11/c1-18(16-37)9-8-12-35(6,45)29-21(39)14-33(4)24-11-10-19-20(36(24,7)25(40)15-34(29,33)5)13-22(30(44)32(19,2)3)46-31-28(43)27(42)26(41)23(17-38)47-31/h9-10,20-24,26-29,31,37-39,41-43,45H,8,11-17H2,1-7H3/b18-9-/t20-,21-,22+,23+,24+,26+,27-,28+,29+,31+,33+,34-,35-,36+/m1/s1
InChIKey AOAXLSNKPDFXMC-HHZSDEBDSA-N
Mol Weight 664.8 g/mol
Molecular Formula C36H56O11
Exact Mass 664.382263 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4wqqpZKw64u
Name (2-BETA,9-BETA,10-ALPHA,16-ALPHA,20-BETA,24Z)-2-(BETA-D-GLUCOPYRANOSYLOXY)-16,20,26-TRIHYDROXY-9-METHYL-19-NORLANOST-5,24-DIENE-3,11-DIONE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H56O11
InChI InChI=1S/C36H56O11/c1-18(16-37)9-8-12-35(6,45)29-21(39)14-33(4)24-11-10-19-20(36(24,7)25(40)15-34(29,33)5)13-22(30(44)32(19,2)3)46-31-28(43)27(42)26(41)23(17-38)47-31/h9-10,20-24,26-29,31,37-39,41-43,45H,8,11-17H2,1-7H3/b18-9-/t20-,21-,22+,23+,24+,26+,27-,28+,29+,31+,33+,34-,35-,36+/m1/s1
InChIKey AOAXLSNKPDFXMC-HHZSDEBDSA-N
Literature Reference Author H.STUPPNER,E.P.MUELLER
Literature Reference Citation PHYTOCHEM.,33,1139(1993)
Literature Reference DOI 10.1016/0031-9422(93)85038-S
Molecular Weight 664.834 g/mol
Solvent CD3OD