| SpectraBase Compound ID | 14ua7RMJ8Zj |
|---|---|
| InChI | InChI=1S/C54H76N8O10/c1-14-24-62-28-38(37-22-18-19-23-39(37)62)46(64)44-54(71)61(12)41(27-33(8)29-63)49(66)55-35(10)48(65)59-45(47(72-13)36-20-16-15-17-21-36)52(69)56-42(32(6)7)53(70)60(11)40(26-31(4)5)50(67)57-43(51(68)58-44)34(9)25-30(2)3/h1,15-23,25,28,31-35,40-47,63-64H,24,26-27,29H2,2-13H3,(H,55,66)(H,56,69)(H,57,67)(H,58,68)(H,59,65)/t33-,34-,35-,40-,41-,42-,43-,44-,45-,46+,47-/m0/s1 |
| InChIKey | BRXHDTDWJQQINT-PNFLAFASSA-N |
| Mol Weight | 997.2 g/mol |
| Molecular Formula | C54H76N8O10 |
| Exact Mass | 996.568441 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KGetF5ZbcdY |
|---|---|
| Name | CYCLOMARIN_P |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H76N8O10 |
| InChI | InChI=1S/C54H76N8O10/c1-14-24-62-28-38(37-22-18-19-23-39(37)62)46(64)44-54(71)61(12)41(27-33(8)29-63)49(66)55-35(10)48(65)59-45(47(72-13)36-20-16-15-17-21-36)52(69)56-42(32(6)7)53(70)60(11)40(26-31(4)5)50(67)57-43(51(68)58-44)34(9)25-30(2)3/h1,15-23,25,28,31-35,40-47,63-64H,24,26-27,29H2,2-13H3,(H,55,66)(H,56,69)(H,57,67)(H,58,68)(H,59,65)/t33-,34-,35-,40-,41-,42-,43-,44-,45-,46+,47-/m0/s1 |
| InChIKey | BRXHDTDWJQQINT-PNFLAFASSA-N |
| Literature Reference Author | A.W.SCHULZ,C.A.LEWIS,M.R.LUZUNG,P.S.BARAN,B.S.MOORE |
| Literature Reference Citation | J.NAT.PROD.,73,373(2010) |
| Literature Reference DOI | 10.1021/np9006876 |
| Molecular Weight | 997.245 g/mol |
| Sample ID | 35068 |
| Solvent | CDCl3 |