| SpectraBase Compound ID | I0HnwpxKskh |
|---|---|
| InChI | InChI=1S/C72H102O27S6/c1-73-28-43-49-55(76-4)61(82-10)67(88-43)97-52-46-31-100-103-40-19-16-34-23-38-26-41-20-17-35(38)24-39-27-42(21-18-36(39)22-37(34)25-40)105-102-33-48-54(99-69-63(84-12)56(77-5)50(44(90-69)29-74-2)95-71(92-46)65(86-14)58(52)79-7)60(81-9)66(87-15)72(93-48)96-51-45(30-75-3)89-68(62(83-11)57(51)78-6)98-53-47(32-101-104-41)91-70(94-49)64(85-13)59(53)80-8/h16-21,25-27,43-72H,22-24,28-33H2,1-15H3/t43-,44-,45+,46-,47-,48-,49+,50+,51-,52+,53+,54+,55+,56+,57-,58+,59+,60+,61-,62+,63-,64-,65-,66-,67+,68-,69+,70+,71+,72+/m1/s1 |
| InChIKey | INUVUEGDVFHEMD-ALOZJMBUSA-N |
| Mol Weight | 1591.9 g/mol |
| Molecular Formula | C72H102O27S6 |
| Exact Mass | 1590.493275 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8PMFNckXDMu |
|---|---|
| Name | INUVUEGDVFHEMD-ALOZJMBUSA-N |
| Compound Number | 2A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C72H102O27S6 |
| InChI | InChI=1S/C72H102O27S6/c1-73-28-43-49-55(76-4)61(82-10)67(88-43)97-52-46-31-100-103-40-19-16-34-23-38-26-41-20-17-35(38)24-39-27-42(21-18-36(39)22-37(34)25-40)105-102-33-48-54(99-69-63(84-12)56(77-5)50(44(90-69)29-74-2)95-71(92-46)65(86-14)58(52)79-7)60(81-9)66(87-15)72(93-48)96-51-45(30-75-3)89-68(62(83-11)57(51)78-6)98-53-47(32-101-104-41)91-70(94-49)64(85-13)59(53)80-8/h16-21,25-27,43-72H,22-24,28-33H2,1-15H3/t43-,44-,45+,46-,47-,48-,49+,50+,51-,52+,53+,54+,55+,56+,57-,58+,59+,60+,61-,62+,63-,64-,65-,66-,67+,68-,69+,70+,71+,72+/m1/s1 |
| InChIKey | INUVUEGDVFHEMD-ALOZJMBUSA-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 | 1591.946 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWBT20679 |