| SpectraBase Compound ID | EkxLSD7PARM |
|---|---|
| InChI | InChI=1S/C78H134N14O25/c1-22-41(10)55(64(109)117-57(54(101)38-94)56(102)53(100)37-93)81-66(111)75(18,23-2)86-63(108)52-32-45(98)34-90(52)69(114)74(16,17)87-67(112)76(19,24-3)88-65(110)72(12,13)83-62(107)51-31-46(99)36-92(51)71(116)78(21,26-5)85-59(104)48(28-40(8)9)80-61(106)50-30-44(97)35-91(50)70(115)77(20,25-4)84-58(103)47(27-39(6)7)79-60(105)49-29-43(96)33-89(49)68(113)73(14,15)82-42(11)95/h39-41,43-57,93-94,96-102H,22-38H2,1-21H3,(H,79,105)(H,80,106)(H,81,111)(H,82,95)(H,83,107)(H,84,103)(H,85,104)(H,86,108)(H,87,112)(H,88,110)/t41-,43+,44+,45+,46+,47-,48-,49-,50-,51-,52-,53+,54+,55+,56+,57-,75+,76-,77-,78+/m0/s1 |
| InChIKey | FXTKDCWUFZIDPM-AEVDUGFDSA-N |
| Mol Weight | 1668.0 g/mol |
| Molecular Formula | C78H134N14O25 |
| Exact Mass | 1666.964456 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EKO699O7AcG |
|---|---|
| Name | CLONOSTACHIN;AC-AIB-1-L-HYP-2-L-LEU-3-D-IVA-4-L-HYP-5-L-LEU-6-L-IVA-7-L-HYP-8-AIB-9-L-IVA-10-AIB-11-L-HYP-12-D-IVA-13-L-ILE-14-MANNITOL |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C78H134N14O25 |
| InChI | InChI=1S/C78H134N14O25/c1-22-41(10)55(64(109)117-57(54(101)38-94)56(102)53(100)37-93)81-66(111)75(18,23-2)86-63(108)52-32-45(98)34-90(52)69(114)74(16,17)87-67(112)76(19,24-3)88-65(110)72(12,13)83-62(107)51-31-46(99)36-92(51)71(116)78(21,26-5)85-59(104)48(28-40(8)9)80-61(106)50-30-44(97)35-91(50)70(115)77(20,25-4)84-58(103)47(27-39(6)7)79-60(105)49-29-43(96)33-89(49)68(113)73(14,15)82-42(11)95/h39-41,43-57,93-94,96-102H,22-38H2,1-21H3,(H,79,105)(H,80,106)(H,81,111)(H,82,95)(H,83,107)(H,84,103)(H,85,104)(H,86,108)(H,87,112)(H,88,110)/t41-,43+,44+,45+,46+,47-,48-,49-,50-,51-,52-,53+,54+,55+,56+,57-,75+,76-,77-,78+/m0/s1 |
| InChIKey | FXTKDCWUFZIDPM-AEVDUGFDSA-N |
| Literature Reference Author | M.FIGUEROA,H.RAJA,J.O.FALKINHAM,A.F.ADCOCK,D.J.KROLL,M.C.WAN I,C.J.PEARCE,N.H.OBE |
| Literature Reference Citation | J.NAT.PROD.,76,1007(2013) |
| Literature Reference DOI | 10.1021/np3008842 |
| Molecular Weight | 1668.001 g/mol |
| Sample ID | 42563 |
| Solvent | CD3OD |