| SpectraBase Compound ID | 1IcJOcTcn6w |
|---|---|
| InChI | InChI=1S/C69H123N13O16S/c1-25-43(15)58-63(90)72-32-29-52(85)75-55(41(11)12)67(94)80(21)57(42(13)14)68(95)78(19)45(17)60(87)70-30-27-50(83)74-48(34-38(5)6)65(92)82(23)59(44(16)26-2)69(96)98-46(18)56(62(89)71-31-28-51(84)73-47(33-37(3)4)64(91)81(58)22)77-61(88)49(35-39(7)8)79(20)66(93)54(40(9)10)76-53(86)36-99(24)97/h37-49,54-59H,25-36H2,1-24H3,(H,70,87)(H,71,89)(H,72,90)(H,73,84)(H,74,83)(H,75,85)(H,76,86)(H,77,88)/t43-,44-,45-,46+,47+,48+,49+,54-,55+,56-,57-,58-,59+,99?/m0/s1 |
| InChIKey | UQSBMLIEBAVHPW-RREFXRMKSA-N |
| Mol Weight | 1422.9 g/mol |
| Molecular Formula | C69H123N13O16S |
| Exact Mass | 1421.893146 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8PCg7ELeIfu |
|---|---|
| Name | SULFINYLTHEONELLAPEPTOLIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C69H123N13O16S |
| InChI | InChI=1S/C69H123N13O16S/c1-25-43(15)58-63(90)72-32-29-52(85)75-55(41(11)12)67(94)80(21)57(42(13)14)68(95)78(19)45(17)60(87)70-30-27-50(83)74-48(34-38(5)6)65(92)82(23)59(44(16)26-2)69(96)98-46(18)56(62(89)71-31-28-51(84)73-47(33-37(3)4)64(91)81(58)22)77-61(88)49(35-39(7)8)79(20)66(93)54(40(9)10)76-53(86)36-99(24)97/h37-49,54-59H,25-36H2,1-24H3,(H,70,87)(H,71,89)(H,72,90)(H,73,84)(H,74,83)(H,75,85)(H,76,86)(H,77,88)/t43-,44-,45-,46+,47+,48+,49+,54-,55+,56-,57-,58-,59+,99?/m0/s1 |
| InChIKey | UQSBMLIEBAVHPW-RREFXRMKSA-N |
| Literature Reference Author | A.SINISI,B.CALCINAI,C.CERRANO,H.A.DIEN,A.ZAMPELLA,C.DAMORE,B .RENGA,S.FIORUCCI,O. |
| Literature Reference Citation | BEIL.J.ORG.CHEM.,9,1643(2013) |
| Literature Reference DOI | 10.3762/bjoc.9.188 |
| Molecular Weight | 1422.873 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU77437 |