| SpectraBase Compound ID | BuH1ZoUYxES |
|---|---|
| InChI | InChI=1S/C68H125N3O28/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-27-30-33-45(77)63(89)69-43(55(83)44(76)32-29-26-23-21-18-19-22-25-28-31-42(2)3)40-94-64-60(88)59(87)57(85)50(96-64)41-95-67(65(90)91)34-46(78)54(71-52(82)39-75)62(98-67)58(86)49(37-73)97-68(66(92)93)35-47(79)53(70-51(81)38-74)61(99-68)56(84)48(80)36-72/h42-50,53-62,64,72-80,83-88H,4-41H2,1-3H3,(H,69,89)(H,70,81)(H,71,82)(H,90,91)(H,92,93)/t43-,44+,45+,46-,47+,48?,49?,50+,53-,54+,55-,56?,57+,58?,59-,60+,61-,62+,64+,67+,68-/m0/s1 |
| InChIKey | QTCARZVVHMXMFU-DWTHIWFFSA-N |
| Mol Weight | 1432.7 g/mol |
| Molecular Formula | C68H125N3O28 |
| Exact Mass | 1431.84496 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | cJySTveEJm |
|---|---|
| Name | OSG-2;ISO-TYPE-OF-SIDE-CHAIN;MINOR |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C68H125N3O28 |
| InChI | InChI=1S/C68H125N3O28/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-27-30-33-45(77)63(89)69-43(55(83)44(76)32-29-26-23-21-18-19-22-25-28-31-42(2)3)40-94-64-60(88)59(87)57(85)50(96-64)41-95-67(65(90)91)34-46(78)54(71-52(82)39-75)62(98-67)58(86)49(37-73)97-68(66(92)93)35-47(79)53(70-51(81)38-74)61(99-68)56(84)48(80)36-72/h42-50,53-62,64,72-80,83-88H,4-41H2,1-3H3,(H,69,89)(H,70,81)(H,71,82)(H,90,91)(H,92,93)/t43-,44+,45+,46-,47+,48?,49?,50+,53-,54+,55-,56?,57+,58?,59-,60+,61-,62+,64+,67+,68-/m0/s1 |
| InChIKey | QTCARZVVHMXMFU-DWTHIWFFSA-N |
| Literature Reference Author | M.INAGAKI,M.SHIBAI,R.ISOBE,R.HIGUCHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,49,1521(2001) |
| Literature Reference DOI | 10.1248/cpb.49.1521 |
| Molecular Weight | 1432.744 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN29054 |