SpectraBase Compound ID | FIwyV2YJUyN |
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InChI | InChI=1S/C44H52N4O6/c1-7-23-17-25-20-44(43(51)54-6)40-28(15-16-48(41(23)44)34(25)22-49)27-13-14-35(52-4)37(39(27)46-40)31-18-29-24(8-2)21-47(3)33(36(29)42(50)53-5)19-30-26-11-9-10-12-32(26)45-38(30)31/h8-14,22-23,25,29,31,33-34,36,41,45-46H,7,15-21H2,1-6H3/b24-8+/t23-,25?,29?,31+,33?,34+,36-,41?,44?/m0/s1 |
InChIKey | JXTFBOHDMBOPNN-QSDVMNMESA-N |
Mol Weight | 732.9 g/mol |
Molecular Formula | C44H52N4O6 |
Exact Mass | 732.388685 g/mol |
SpectraBase Spectrum ID | FhSGuCY4V1J |
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Name | (3'R)-TABERNAELEGANTINAL-E |
Compound Number | 1 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C44H52N4O6 |
InChI | InChI=1S/C44H52N4O6/c1-7-23-17-25-20-44(43(51)54-6)40-28(15-16-48(41(23)44)34(25)22-49)27-13-14-35(52-4)37(39(27)46-40)31-18-29-24(8-2)21-47(3)33(36(29)42(50)53-5)19-30-26-11-9-10-12-32(26)45-38(30)31/h8-14,22-23,25,29,31,33-34,36,41,45-46H,7,15-21H2,1-6H3/b24-8+/t23-,25?,29?,31+,33?,34+,36-,41?,44?/m0/s1 |
InChIKey | JXTFBOHDMBOPNN-QSDVMNMESA-N |
Literature Reference Author | M.GIRARDOT,A.GADEA,C.DEREGNAUCOURT,A.DEVILLE,L.DUBOST,B.NAY, A.MACIUK,P.RASOANAIV |
Literature Reference Citation | EUR.J.ORG.CHEM.,2012,2816(2012) |
Literature Reference DOI | 10.1002/ejoc.201101738 |
Molecular Weight | 732.920 g/mol |
Solvent | CD3OD |
Source File Reference | UWLU84735 |