| SpectraBase Compound ID | GBwOqDiBIf0 |
|---|---|
| InChI | InChI=1S/C77H142N2O29/c1-36(19-15-13-14-18-24-78)25-42(7)73-46(11)57(103-75-69(98)62(79)66(95)47(12)102-75)33-50(84)32-55(89)44(9)53(87)29-48(82)28-52(86)43(8)54(88)30-49(83)31-56(90)45(10)65(94)58(104-77-72(101)74(68(97)60(35-81)106-77)108-76-71(100)70(99)67(96)59(34-80)105-76)27-41(6)64(93)40(5)26-39(4)63(92)38(3)20-16-17-21-51(85)37(2)22-23-61(91)107-73/h16,20,26-27,36-38,40,42-60,62-77,80-90,92-101H,13-15,17-19,21-25,28-35,78-79H2,1-12H3/b20-16-,39-26-,41-27-/t36?,37?,38?,40?,42?,43?,44?,45?,46?,47-,48?,49?,50?,51?,52?,53?,54?,55?,56?,57?,58?,59-,60-,62+,63?,64?,65?,66-,67-,68-,69-,70+,71+,72+,73?,74+,75+,76+,77+/m1/s1 |
| InChIKey | LNARHTBARTYDAD-MKHJKEMASA-N |
| Mol Weight | 1560.0 g/mol |
| Molecular Formula | C77H142N2O29 |
| Exact Mass | 1558.969827 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KLRzAbhthjk |
|---|---|
| Name | MATHEMYCIN-B |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C77H142N2O29 |
| InChI | InChI=1S/C77H142N2O29/c1-36(19-15-13-14-18-24-78)25-42(7)73-46(11)57(103-75-69(98)62(79)66(95)47(12)102-75)33-50(84)32-55(89)44(9)53(87)29-48(82)28-52(86)43(8)54(88)30-49(83)31-56(90)45(10)65(94)58(104-77-72(101)74(68(97)60(35-81)106-77)108-76-71(100)70(99)67(96)59(34-80)105-76)27-41(6)64(93)40(5)26-39(4)63(92)38(3)20-16-17-21-51(85)37(2)22-23-61(91)107-73/h16,20,26-27,36-38,40,42-60,62-77,80-90,92-101H,13-15,17-19,21-25,28-35,78-79H2,1-12H3/b20-16-,39-26-,41-27-/t36?,37?,38?,40?,42?,43?,44?,45?,46?,47-,48?,49?,50?,51?,52?,53?,54?,55?,56?,57?,58?,59-,60-,62+,63?,64?,65?,66-,67-,68-,69-,70+,71+,72+,73?,74+,75+,76+,77+/m1/s1 |
| InChIKey | LNARHTBARTYDAD-MKHJKEMASA-N |
| Literature Reference Author | T.MUKHOPADHYAY,S.R.NADKARNI,R.G.BHAT,S.V.GUPTE,B.N.GANGULI,S .PETRY,H.KOGLER |
| Literature Reference Citation | J.NAT.PROD.,62,889(1999) |
| Literature Reference DOI | 10.1021/np980369q |
| Molecular Weight | 1559.970 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCP8136 |