SpectraBase Compound ID | APwIPTLLdDi |
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InChI | InChI=1S/C25H36O4/c1-14(10-23(28)15(2)26)21-6-7-22-20-13-24(29)17-11-16(4-5-18(27)12-17)19(20)8-9-25(21,22)3/h4,10,13,15,17-19,21-23,26-28H,5-9,11-12H2,1-3H3/b14-10+/t15-,17+,18+,19-,21?,22+,23+,25-/m1/s1 |
InChIKey | HDGOYEAHQQCXLC-BASQPFFBSA-N |
Mol Weight | 400.6 g/mol |
Molecular Formula | C25H36O4 |
Exact Mass | 400.26136 g/mol |
SpectraBase Spectrum ID | 5odKlkNhSrW |
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Name | NEOCYCLOCITRINOL_A |
Compound Number | 9 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C25H36O4 |
InChI | InChI=1S/C25H36O4/c1-14(10-23(28)15(2)26)21-6-7-22-20-13-24(29)17-11-16(4-5-18(27)12-17)19(20)8-9-25(21,22)3/h4,10,13,15,17-19,21-23,26-28H,5-9,11-12H2,1-3H3/b14-10+/t15-,17+,18+,19-,21?,22+,23+,25-/m1/s1 |
InChIKey | HDGOYEAHQQCXLC-BASQPFFBSA-N |
Literature Reference Author | L.DU,T.ZHU,Y.FANG,Q.GU,W.ZHU |
Literature Reference Citation | J.NAT.PROD.,71,1343(2008) |
Literature Reference DOI | 10.1021/np8000442 |
Molecular Weight | 400.558 g/mol |
Sample ID | 28433 |
Solvent | DMSO-D6 |