| SpectraBase Compound ID | 3uA1i2ZeDbI |
|---|---|
| InChI | InChI=1S/C79H136N14O25/c1-22-42(11)56(65(110)118-58(55(102)39-95)57(103)54(101)38-94)82-67(112)75(17,23-2)87-64(109)53-33-47(100)37-93(53)72(117)79(21,27-6)89-68(113)76(18,24-3)88-66(111)73(13,14)84-63(108)52-32-46(99)36-92(52)71(116)78(20,26-5)86-60(105)49(29-41(9)10)81-62(107)51-31-45(98)35-91(51)70(115)77(19,25-4)85-59(104)48(28-40(7)8)80-61(106)50-30-44(97)34-90(50)69(114)74(15,16)83-43(12)96/h40-42,44-58,94-95,97-103H,22-39H2,1-21H3,(H,80,106)(H,81,107)(H,82,112)(H,83,96)(H,84,108)(H,85,104)(H,86,105)(H,87,109)(H,88,111)(H,89,113)/t42-,44+,45+,46+,47+,48-,49-,50-,51-,52-,53-,54+,55+,56+,57+,58-,75+,76-,77-,78+,79-/m0/s1 |
| InChIKey | DQJJFHGENNOEQH-AVZUNIQUSA-N |
| Mol Weight | 1682.0 g/mol |
| Molecular Formula | C79H136N14O25 |
| Exact Mass | 1680.980106 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9OPBtgKGfBA |
|---|---|
| Name | CLONOSTACHIN_B;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-D-IVA-11-L-HYP-12-D-IVA-13-L-ILE-14-MANNITO |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C79H136N14O25 |
| InChI | InChI=1S/C79H136N14O25/c1-22-42(11)56(65(110)118-58(55(102)39-95)57(103)54(101)38-94)82-67(112)75(17,23-2)87-64(109)53-33-47(100)37-93(53)72(117)79(21,27-6)89-68(113)76(18,24-3)88-66(111)73(13,14)84-63(108)52-32-46(99)36-92(52)71(116)78(20,26-5)86-60(105)49(29-41(9)10)81-62(107)51-31-45(98)35-91(51)70(115)77(19,25-4)85-59(104)48(28-40(7)8)80-61(106)50-30-44(97)34-90(50)69(114)74(15,16)83-43(12)96/h40-42,44-58,94-95,97-103H,22-39H2,1-21H3,(H,80,106)(H,81,107)(H,82,112)(H,83,96)(H,84,108)(H,85,104)(H,86,105)(H,87,109)(H,88,111)(H,89,113)/t42-,44+,45+,46+,47+,48-,49-,50-,51-,52-,53-,54+,55+,56+,57+,58-,75+,76-,77-,78+,79-/m0/s1 |
| InChIKey | DQJJFHGENNOEQH-AVZUNIQUSA-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 | 1682.028 g/mol |
| Sample ID | 42562 |
| Solvent | CD3OD |