| SpectraBase Compound ID | 6FygpEFrvYe |
|---|---|
| InChI | InChI=1S/C60H89N3O36S/c1-26(64)81-20-39-46(87-29(4)67)49(90-32(7)70)52(93-35(10)73)56(97-39)84-23-60(63-42(76)17-15-14-16-18-61-59(100)62-19-38-43(77)44(78)45(79)55(80-13)96-38,24-85-57-53(94-36(11)74)50(91-33(8)71)47(88-30(5)68)40(98-57)21-82-27(2)65)25-86-58-54(95-37(12)75)51(92-34(9)72)48(89-31(6)69)41(99-58)22-83-28(3)66/h38-41,43-58,77-79H,14-25H2,1-13H3,(H,63,76)(H2,61,62,100)/t38-,39-,40-,41-,43-,44+,45-,46-,47-,48-,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+/m1/s1 |
| InChIKey | VUVXAEWPAIXTNM-BNNQQSJFSA-N |
| Mol Weight | 1460.4 g/mol |
| Molecular Formula | C60H89N3O36S |
| Exact Mass | 1459.494647 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7snB7H2TiBr |
|---|---|
| Name | VUVXAEWPAIXTNM-BNNQQSJFSA-N |
| Compound Number | 52 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H89N3O36S |
| InChI | InChI=1S/C60H89N3O36S/c1-26(64)81-20-39-46(87-29(4)67)49(90-32(7)70)52(93-35(10)73)56(97-39)84-23-60(63-42(76)17-15-14-16-18-61-59(100)62-19-38-43(77)44(78)45(79)55(80-13)96-38,24-85-57-53(94-36(11)74)50(91-33(8)71)47(88-30(5)68)40(98-57)21-82-27(2)65)25-86-58-54(95-37(12)75)51(92-34(9)72)48(89-31(6)69)41(99-58)22-83-28(3)66/h38-41,43-58,77-79H,14-25H2,1-13H3,(H,63,76)(H2,61,62,100)/t38-,39-,40-,41-,43-,44+,45-,46-,47-,48-,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+/m1/s1 |
| InChIKey | VUVXAEWPAIXTNM-BNNQQSJFSA-N |
| Literature Reference Author | J.M.BENITO,M.GOMEZ-GARCIA,C.O.MELLET,I.BAUSSANNE,J.DEFAYE,J. M.G.FERNANDEZ |
| Literature Reference Citation | J.AM.CHEM.SOC.,126,10355(2004) |
| Literature Reference DOI | 10.1021/ja047864v |
| Molecular Weight | 1460.425 g/mol |
| Sample ID | 27896 |
| Solvent | CD3OD |