| SpectraBase Compound ID | AInUAhkWf6u |
|---|---|
| InChI | InChI=1S/C79H144N2O37/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-27-30-33-46(90)72(104)81-44(55(93)45(89)32-29-26-23-21-20-22-25-28-31-42(2)3)41-107-73-62(100)60(98)67(52(39-86)111-73)114-77-64(102)70(58(96)51(38-85)110-77)118-79(78(105)106)34-49(54(80-43(4)88)69(117-79)56(94)47(91)35-82)108-76-65(103)71(116-75-63(101)59(97)66(113-75)48(92)36-83)68(53(40-87)112-76)115-74-61(99)57(95)50(37-84)109-74/h42,44-71,73-77,82-87,89-103H,5-41H2,1-4H3,(H,80,88)(H,81,104)(H,105,106)/t44-,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+,73-,74-,75+,76-,77+,79-/m0/s1 |
| InChIKey | FNCVKECYHRZRQL-ANOPYFEUSA-N |
| Mol Weight | 1714.0 g/mol |
| Molecular Formula | C79H144N2O37 |
| Exact Mass | 1712.944794 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GrECRKX4icv |
|---|---|
| Name | FNCVKECYHRZRQL-ANOPYFEUSA-N |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C79H144N2O37 |
| InChI | InChI=1S/C79H144N2O37/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-27-30-33-46(90)72(104)81-44(55(93)45(89)32-29-26-23-21-20-22-25-28-31-42(2)3)41-107-73-62(100)60(98)67(52(39-86)111-73)114-77-64(102)70(58(96)51(38-85)110-77)118-79(78(105)106)34-49(54(80-43(4)88)69(117-79)56(94)47(91)35-82)108-76-65(103)71(116-75-63(101)59(97)66(113-75)48(92)36-83)68(53(40-87)112-76)115-74-61(99)57(95)50(37-84)109-74/h42,44-71,73-77,82-87,89-103H,5-41H2,1-4H3,(H,80,88)(H,81,104)(H,105,106)/t44-,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+,73-,74-,75+,76-,77+,79-/m0/s1 |
| InChIKey | FNCVKECYHRZRQL-ANOPYFEUSA-N |
| Literature Reference Author | R.HIGUCHI,S.INOUE,K.INAGAKI,M.SAKAI,T.MIYAMOTO,T.KOMORI,M.IN AGAKI,R.ISOBE |
| Literature Reference Citation | CHEM.PHARM.BULL.,54,287(2006) |
| Literature Reference DOI | 10.1248/cpb.54.287 |
| Molecular Weight | 1714.004 g/mol |
| Sample ID | 36988 |
| Solvent | C5D5N:D2O=24:1 |