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19-ALPHA-HYDROXYASIATIC-ACID
SpectraBase Compound ID IHDdWfCPuwT
InChI InChI=1S/C36H58O11/c1-18-9-12-36(30(44)47-29-26(42)25(41)24(40)21(16-37)46-29)14-13-33(4)19(27(36)35(18,6)45)7-8-23-31(2)15-20(39)28(43)32(3,17-38)22(31)10-11-34(23,33)5/h7,18,20-29,37-43,45H,8-17H2,1-6H3/t18-,20+,21+,22+,23+,24+,25-,26+,27+,28-,29-,31-,32-,33+,34+,35+,36-/m0/s1
InChIKey WKKBYJLXSKPKSC-GZXNBDEHSA-N
Mol Weight 666.8 g/mol
Molecular Formula C36H58O11
Exact Mass 666.397913 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 84xesAZRrEN
Name 19-ALPHA-HYDROXYASIATIC-ACID
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H58O11
InChI InChI=1S/C36H58O11/c1-18-9-12-36(30(44)47-29-26(42)25(41)24(40)21(16-37)46-29)14-13-33(4)19(27(36)35(18,6)45)7-8-23-31(2)15-20(39)28(43)32(3,17-38)22(31)10-11-34(23,33)5/h7,18,20-29,37-43,45H,8-17H2,1-6H3/t18-,20+,21+,22+,23+,24+,25-,26+,27+,28-,29-,31-,32-,33+,34+,35+,36-/m0/s1
InChIKey WKKBYJLXSKPKSC-GZXNBDEHSA-N
Literature Reference Author D.G.DURHAM,X.LIU,R.M.E.RICHARDS
Literature Reference Citation PHYTOCHEM.,36,1469(1994)
Literature Reference DOI 10.1016/S0031-9422(00)89744-7
Molecular Weight 666.850 g/mol
Solvent C5D5N
Source File Reference UWLU26417