| SpectraBase Compound ID | FLjb7QlOJ2e |
|---|---|
| InChI | InChI=1S/C73H89ClN10O26/c1-27(2)16-39(78-7)64(95)83-54-56(90)32-11-15-43(38(74)18-32)106-45-20-33-19-44(60(45)110-71-61(58(92)57(91)46(26-85)107-71)109-49-25-73(6,77)63(94)29(4)104-49)105-35-12-8-30(9-13-35)59(108-48-24-72(5,76)62(93)28(3)103-48)55-69(100)82-53(70(101)102)37-21-34(86)22-42(88)50(37)36-17-31(10-14-41(36)87)51(66(97)84-55)81-67(98)52(33)80-65(96)40(23-47(75)89)79-68(54)99/h8-15,17-22,27-29,39-40,46,48-49,51-59,61-63,71,78,85-88,90-94H,16,23-26,76-77H2,1-7H3,(H2,75,89)(H,79,99)(H,80,96)(H,81,98)(H,82,100)(H,83,95)(H,84,97)(H,101,102)/t28-,29+,39+,40-,46-,48-,49+,51+,52+,53+,54+,55-,56+,57-,58+,59+,61-,62-,63+,71+,72-,73+/m0/s1 |
| InChIKey | UECIPBUIMXSXEI-USQQCESUSA-N |
| Mol Weight | 1558.0 g/mol |
| Molecular Formula | C73H89ClN10O26 |
| Exact Mass | 1556.563801 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2AMenqqKlXj |
|---|---|
| Name | EREMOMYCIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C73H89ClN10O26 |
| InChI | InChI=1S/C73H89ClN10O26/c1-27(2)16-39(78-7)64(95)83-54-56(90)32-11-15-43(38(74)18-32)106-45-20-33-19-44(60(45)110-71-61(58(92)57(91)46(26-85)107-71)109-49-25-73(6,77)63(94)29(4)104-49)105-35-12-8-30(9-13-35)59(108-48-24-72(5,76)62(93)28(3)103-48)55-69(100)82-53(70(101)102)37-21-34(86)22-42(88)50(37)36-17-31(10-14-41(36)87)51(66(97)84-55)81-67(98)52(33)80-65(96)40(23-47(75)89)79-68(54)99/h8-15,17-22,27-29,39-40,46,48-49,51-59,61-63,71,78,85-88,90-94H,16,23-26,76-77H2,1-7H3,(H2,75,89)(H,79,99)(H,80,96)(H,81,98)(H,82,100)(H,83,95)(H,84,97)(H,101,102)/t28-,29+,39+,40-,46-,48-,49+,51+,52+,53+,54+,55-,56+,57-,58+,59+,61-,62-,63+,71+,72-,73+/m0/s1 |
| InChIKey | UECIPBUIMXSXEI-USQQCESUSA-N |
| Literature Reference Author | G.BATTA,F.SZTARICSKAI,K.E.KOEVER,C.RUEDEL,T.F.BERDNIKOVA |
| Literature Reference Citation | J.ANTIBIOTICS,44,1208(1991) |
| Literature Reference DOI | 10.7164/antibiotics.44.1208 |
| Molecular Weight | 1558.014 g/mol |
| Sample ID | 66599 |
| Solvent | D2O |