| SpectraBase Compound ID | 3LcHv3m7Xbn |
|---|---|
| InChI | InChI=1S/C70H120N6O29/c1-38(41-9-10-42-56-43(34-48(79)70(41,42)3)69(2)19-12-40(77)32-39(69)33-44(56)78)8-11-49(80)71-20-29-100-66-63(93)60(90)57(87)45(103-66)35-74(23-13-50(81)72-21-30-101-67-64(94)61(91)58(88)46(104-67)36-75(25-15-52(83)96-4)26-16-53(84)97-5)24-14-51(82)73-22-31-102-68-65(95)62(92)59(89)47(105-68)37-76(27-17-54(85)98-6)28-18-55(86)99-7/h38-48,56-68,77-79,87-95H,8-37H2,1-7H3,(H,71,80)(H,72,81)(H,73,82)/t38-,39+,40-,41-,42+,43+,44-,45+,46-,47-,48+,56+,57+,58-,59-,60-,61+,62+,63+,64-,65-,66+,67-,68-,69+,70-/m1/s1 |
| InChIKey | ZXCYWPNJXFQNDV-HBDUHBFBSA-N |
| Mol Weight | 1509.7 g/mol |
| Molecular Formula | C70H120N6O29 |
| Exact Mass | 1508.809972 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2IKfOT4LJGE |
|---|---|
| Name | ZXCYWPNJXFQNDV-HBDUHBFBSA-N |
| Compound Number | 20 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C70H120N6O29 |
| InChI | InChI=1S/C70H120N6O29/c1-38(41-9-10-42-56-43(34-48(79)70(41,42)3)69(2)19-12-40(77)32-39(69)33-44(56)78)8-11-49(80)71-20-29-100-66-63(93)60(90)57(87)45(103-66)35-74(23-13-50(81)72-21-30-101-67-64(94)61(91)58(88)46(104-67)36-75(25-15-52(83)96-4)26-16-53(84)97-5)24-14-51(82)73-22-31-102-68-65(95)62(92)59(89)47(105-68)37-76(27-17-54(85)98-6)28-18-55(86)99-7/h38-48,56-68,77-79,87-95H,8-37H2,1-7H3,(H,71,80)(H,72,81)(H,73,82)/t38-,39+,40-,41-,42+,43+,44-,45+,46-,47-,48+,56+,57+,58-,59-,60-,61+,62+,63+,64-,65-,66+,67-,68-,69+,70-/m1/s1 |
| InChIKey | ZXCYWPNJXFQNDV-HBDUHBFBSA-N |
| Literature Reference Author | M.DUBBER,A.PATEL,K.SADALAPURE,I.AUMUELLER,T.K.LINDHORST |
| Literature Reference Citation | EUR.J.ORG.CHEM.,5357(2006) |
| Molecular Weight | 1509.746 g/mol |
| Sample ID | 44686 |
| Solvent | CD3OD |