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OXALOTERPIN_A
SpectraBase Compound ID 2TiwAUIb7Dq
InChI InChI=1S/C24H35NO5/c1-7-23(5)12-10-17-16(14-23)8-9-18-22(3,4)19(11-13-24(17,18)6)30-21(28)20(27)25(29)15(2)26/h7,10,16,18-19,29H,1,8-9,11-14H2,2-6H3/t16-,18+,19+,23-,24-/m0/s1
InChIKey HNGLSAZJLQWHMF-LQBJFXQCSA-N
Mol Weight 417.5 g/mol
Molecular Formula C24H35NO5
Exact Mass 417.251523 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8QpN3MorW08
Name Oxaloterpin A
Appearance White powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H35NO5
InChI InChI=1S/C24H35NO5/c1-7-23(5)12-10-17-16(14-23)8-9-18-22(3,4)19(11-13-24(17,18)6)30-21(28)20(27)25(29)15(2)26/h7,10,16,18-19,29H,1,8-9,11-14H2,2-6H3/t16-,18+,19+,23-,24-/m0/s1
InChIKey HNGLSAZJLQWHMF-LQBJFXQCSA-N
Instrument Name JEOL MS route
Ionization Type EI positive ion
Literature Reference DOI 10.1021/np070326m
Molecular Weight 417.546 g/mol
Optical Rotation [a]D25 = -14 (c = 1.50, CHCl3)
Reported Formula C24H35NO5
SMILES ON(C(=O)C)C(=O)C(O[C@@]1(CC[C@]2(C)[C@@](CC[C@@]3(C2=CC[C@](C)(C=C)C3)[H])([H])C1(C)C)[H])=O
SPLASH splash10-0a4i-2982000000-37927abb083d07778829
Source of Spectrum G4-70-SM10-1
Wiley ID 1876816