| SpectraBase Compound ID | FlxwUC96uVw |
|---|---|
| InChI | InChI=1S/C57H96O30S3/c1-25(58)88-22-31-37-43(67-10)49(73-16)55(79-31)82-34-28(19-61-4)77-53(47(71-14)40(34)64-7)86-38-32(23-89-26(2)59)81-57(51(75-18)44(38)68-11)84-36-30(21-63-6)78-54(48(72-15)42(36)66-9)87-39-33(24-90-27(3)60)80-56(50(74-17)45(39)69-12)83-35-29(20-62-5)76-52(85-37)46(70-13)41(35)65-8/h28-57H,19-24H2,1-18H3/t28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40+,41+,42+,43+,44+,45+,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-/m0/s1 |
| InChIKey | HPGNGUPLULZFQD-ZMEPWJRTSA-N |
| Mol Weight | 1357.5 g/mol |
| Molecular Formula | C57H96O30S3 |
| Exact Mass | 1356.514855 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Zege79xWa8 |
|---|---|
| Name | #6;2(I),2(II),2(III),2(IV),2(V),2(VI),3(I),3(II),3(III),3(IV),3(V),3(VI),6(II),6(IV),6(VI)-PENTADECA-O-METHYL-6(I),6(III),6(V)-TRI-O-ACETYLSULFANYL-ALPH |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H96O30S3 |
| InChI | InChI=1S/C57H96O30S3/c1-25(58)88-22-31-37-43(67-10)49(73-16)55(79-31)82-34-28(19-61-4)77-53(47(71-14)40(34)64-7)86-38-32(23-89-26(2)59)81-57(51(75-18)44(38)68-11)84-36-30(21-63-6)78-54(48(72-15)42(36)66-9)87-39-33(24-90-27(3)60)80-56(50(74-17)45(39)69-12)83-35-29(20-62-5)76-52(85-37)46(70-13)41(35)65-8/h28-57H,19-24H2,1-18H3/t28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40+,41+,42+,43+,44+,45+,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-/m0/s1 |
| InChIKey | HPGNGUPLULZFQD-ZMEPWJRTSA-N |
| Literature Reference Author | F.BREGIER,J.LAVALLE,J.C.CHAMBRON |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2013,2666(2013) |
| Literature Reference DOI | 10.1002/ejoc.201201729 |
| Molecular Weight | 1357.551 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWBT20677 |