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APPLANOXIDIC ACID H ; 3beta,12alpha,20-TRIHYDROXY-7alpha,8alpha-EPOXY-15,23-DIOXO-5alpha-LANOSTA-9(11),16-DIEN-26-OIC ACID
SpectraBase Compound ID IhoIDBnjzCG
InChI InChI=1S/C30H42O8/c1-15(24(35)36)10-16(31)14-27(5,37)19-12-22(34)29(7)28(19,6)21(33)11-18-26(4)9-8-20(32)25(2,3)17(26)13-23-30(18,29)38-23/h11-12,15,17,20-21,23,32-33,37H,8-10,13-14H2,1-7H3,(H,35,36)/t15?,17-,20-,21-,23+,26-,27?,28-,29+,30-/m0/s1
InChIKey QZIICLRJPWBMPH-KRVPUEPLSA-N
Mol Weight 530.7 g/mol
Molecular Formula C30H42O8
Exact Mass 530.287968 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G3dNc5zZXKD
Name APPLANOXIDIC-ACID-H;3-BETA,12-ALPHA,20-TRIHYDROXY-7-ALPHA,8-ALPHA-EPOXY-15,23-DIOXO-5-ALPHA-LANOSTA-9(11),16-DIEN-26-OIC-ACID
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H42O8
InChI InChI=1S/C30H42O8/c1-15(24(35)36)10-16(31)14-27(5,37)19-12-22(34)29(7)28(19,6)21(33)11-18-26(4)9-8-20(32)25(2,3)17(26)13-23-30(18,29)38-23/h11-12,15,17,20-21,23,32-33,37H,8-10,13-14H2,1-7H3,(H,35,36)/t15?,17-,20-,21-,23+,26-,27?,28-,29+,30-/m0/s1
InChIKey QZIICLRJPWBMPH-KRVPUEPLSA-N
Literature Reference Author CHAIRUL,S.M.CHAIRUL,Y.HAYASHI
Literature Reference Citation PHYTOCHEM.,35,1305(1994)
Literature Reference DOI 10.1016/S0031-9422(00)94843-X
Molecular Weight 530.659 g/mol
Solvent CDCl3
Source File Reference UWMS24543