| SpectraBase Compound ID | ATz9lG9yKZw |
|---|---|
| InChI | InChI=1S/C71H132N2O24/c1-35(19-15-13-14-18-24-72)25-41(7)69-45(11)56(94-70-66(90)60(73)64(88)46(12)93-70)33-49(77)32-54(82)43(9)52(80)29-47(75)28-51(79)42(8)53(81)30-48(76)31-55(83)44(10)63(87)57(95-71-68(92)67(91)65(89)58(34-74)96-71)27-40(6)62(86)39(5)26-38(4)61(85)37(3)20-16-17-21-50(78)36(2)22-23-59(84)97-69/h16,20,26-27,35-37,39,41-58,60-71,74-83,85-92H,13-15,17-19,21-25,28-34,72-73H2,1-12H3/b20-16-,38-26-,40-27-/t35?,36?,37?,39?,41?,42?,43?,44?,45?,46-,47?,48?,49?,50?,51?,52?,53?,54?,55?,56?,57?,58-,60+,61?,62?,63?,64-,65-,66-,67+,68+,69?,70+,71-/m1/s1 |
| InChIKey | GBOWXIISIICSRF-IIJMCNRXSA-N |
| Mol Weight | 1397.8 g/mol |
| Molecular Formula | C71H132N2O24 |
| Exact Mass | 1396.917003 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | It03XHGbQuH |
|---|---|
| Name | MATHEMYCIN-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C71H132N2O24 |
| InChI | InChI=1S/C71H132N2O24/c1-35(19-15-13-14-18-24-72)25-41(7)69-45(11)56(94-70-66(90)60(73)64(88)46(12)93-70)33-49(77)32-54(82)43(9)52(80)29-47(75)28-51(79)42(8)53(81)30-48(76)31-55(83)44(10)63(87)57(95-71-68(92)67(91)65(89)58(34-74)96-71)27-40(6)62(86)39(5)26-38(4)61(85)37(3)20-16-17-21-50(78)36(2)22-23-59(84)97-69/h16,20,26-27,35-37,39,41-58,60-71,74-83,85-92H,13-15,17-19,21-25,28-34,72-73H2,1-12H3/b20-16-,38-26-,40-27-/t35?,36?,37?,39?,41?,42?,43?,44?,45?,46-,47?,48?,49?,50?,51?,52?,53?,54?,55?,56?,57?,58-,60+,61?,62?,63?,64-,65-,66-,67+,68+,69?,70+,71-/m1/s1 |
| InChIKey | GBOWXIISIICSRF-IIJMCNRXSA-N |
| Literature Reference Author | T.MUKHOPADHYAY,E.K.S.VIJAYAKUMAR,S.R.NADKARNI,H.W.FEHLHABER, H.KOGLER,S.PETRY |
| Literature Reference Citation | J.ANTIBIOTICS,51,582(1998) |
| Literature Reference DOI | 10.7164/antibiotics.51.582 |
| Molecular Weight | 1397.828 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWKP692 |