| SpectraBase Compound ID | 9U1uhmsvjk1 |
|---|---|
| InChI | InChI=1S/C68H125N3O27/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-46(77)63(88)70-44(55(82)45(76)34-32-30-28-26-24-17-15-13-11-9-7-5-2)41-93-64-60(87)59(86)57(84)51(95-64)42-94-67(65(89)90)36-47(78)53(69-43(3)75)62(97-67)58(85)50(39-73)96-68(66(91)92)37-48(79)54(71-52(81)40-74)61(98-68)56(83)49(80)38-72/h44-51,53-62,64,72-74,76-80,82-87H,4-42H2,1-3H3,(H,69,75)(H,70,88)(H,71,81)(H,89,90)(H,91,92)/t44-,45+,46+,47-,48+,49?,50?,51+,53+,54-,55-,56?,57+,58?,59-,60+,61-,62+,64+,67+,68-/m0/s1 |
| InChIKey | QBPCSKMKVBUHEH-FISHNMCSSA-N |
| Mol Weight | 1416.7 g/mol |
| Molecular Formula | C68H125N3O27 |
| Exact Mass | 1415.850046 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | MMvdSdYvyc |
|---|---|
| Name | OSG-2;NORMAL-TYPE-OF-SIDE-CHAIN;MAJOR |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C68H125N3O27 |
| InChI | InChI=1S/C68H125N3O27/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-46(77)63(88)70-44(55(82)45(76)34-32-30-28-26-24-17-15-13-11-9-7-5-2)41-93-64-60(87)59(86)57(84)51(95-64)42-94-67(65(89)90)36-47(78)53(69-43(3)75)62(97-67)58(85)50(39-73)96-68(66(91)92)37-48(79)54(71-52(81)40-74)61(98-68)56(83)49(80)38-72/h44-51,53-62,64,72-74,76-80,82-87H,4-42H2,1-3H3,(H,69,75)(H,70,88)(H,71,81)(H,89,90)(H,91,92)/t44-,45+,46+,47-,48+,49?,50?,51+,53+,54-,55-,56?,57+,58?,59-,60+,61-,62+,64+,67+,68-/m0/s1 |
| InChIKey | QBPCSKMKVBUHEH-FISHNMCSSA-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 | 1416.744 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN29051 |