| SpectraBase Compound ID | 66CisDtu7cA |
|---|---|
| InChI | InChI=1S/C49H67BrN8O12/c1-10-15-37(60)51-27(7)42(62)54-39(25(3)4)45(65)56-41-28(8)70-49(69)40(26(5)6)55-44(64)34(24-30-18-20-36(59)31(50)22-30)57(9)48(68)35(23-29-16-13-12-14-17-29)58-38(61)21-19-33(47(58)67)53-43(63)32(11-2)52-46(41)66/h11-14,16-18,20,22,25-28,33-35,38-41,59,61H,10,15,19,21,23-24H2,1-9H3,(H,51,60)(H,52,66)(H,53,63)(H,54,62)(H,55,64)(H,56,65)/b32-11-/t27-,28+,33-,34-,35-,38+,39-,40-,41-/m0/s1 |
| InChIKey | QGIQHZHVLBXUBA-FYLMQZEWSA-N |
| Mol Weight | 1040.0 g/mol |
| Molecular Formula | C49H67BrN8O12 |
| Exact Mass | 1038.406183 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | czMtDeEqU9 |
|---|---|
| Name | LYNGBYASTATIN-10 |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H67BrN8O12 |
| InChI | InChI=1S/C49H67BrN8O12/c1-10-15-37(60)51-27(7)42(62)54-39(25(3)4)45(65)56-41-28(8)70-49(69)40(26(5)6)55-44(64)34(24-30-18-20-36(59)31(50)22-30)57(9)48(68)35(23-29-16-13-12-14-17-29)58-38(61)21-19-33(47(58)67)53-43(63)32(11-2)52-46(41)66/h11-14,16-18,20,22,25-28,33-35,38-41,59,61H,10,15,19,21,23-24H2,1-9H3,(H,51,60)(H,52,66)(H,53,63)(H,54,62)(H,55,64)(H,56,65)/b32-11-/t27-,28+,33-,34-,35-,38+,39-,40-,41-/m0/s1 |
| InChIKey | QGIQHZHVLBXUBA-FYLMQZEWSA-N |
| Literature Reference Author | J.C.KWAN,K.TAORI,V.J.PAUL,H.LUESCH |
| Literature Reference Citation | MAR.DRUGS,7,528(2009) |
| Literature Reference DOI | 10.3390/md7040528 |
| Molecular Weight | 1040.021 g/mol |
| Source File Reference | UWIR6321 |