| SpectraBase Compound ID | RdhGBDSTBU |
|---|---|
| InChI | InChI=1S/C62H98N2O11/c1-36(13-12-26-65)44-17-19-46-55-48(32-52(72-9)61(44,46)5)59(3)24-22-42(28-40(59)30-50(55)70-7)74-57(68)63-34-38-14-11-15-39(27-38)35-64-58(69)75-43-23-25-60(4)41(29-43)31-51(71-8)56-47-20-18-45(37(2)16-21-54(66)67)62(47,6)53(73-10)33-49(56)60/h11,14-15,27,36-37,40-53,55-56,65H,12-13,16-26,28-35H2,1-10H3,(H,63,68)(H,64,69)(H,66,67)/t36-,37-,40+,41+,42-,43-,44-,45-,46+,47+,48+,49+,50-,51-,52+,53+,55+,56+,59+,60+,61-,62-/m0/s1 |
| InChIKey | VJIWPJJDIPYGIF-LDUSDPFCSA-N |
| Mol Weight | 1047.5 g/mol |
| Molecular Formula | C62H98N2O11 |
| Exact Mass | 1046.717062 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IpKfKWts6Qk |
|---|---|
| Name | VJIWPJJDIPYGIF-LDUSDPFCSA-N |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H98N2O11 |
| InChI | InChI=1S/C62H98N2O11/c1-36(13-12-26-65)44-17-19-46-55-48(32-52(72-9)61(44,46)5)59(3)24-22-42(28-40(59)30-50(55)70-7)74-57(68)63-34-38-14-11-15-39(27-38)35-64-58(69)75-43-23-25-60(4)41(29-43)31-51(71-8)56-47-20-18-45(37(2)16-21-54(66)67)62(47,6)53(73-10)33-49(56)60/h11,14-15,27,36-37,40-53,55-56,65H,12-13,16-26,28-35H2,1-10H3,(H,63,68)(H,64,69)(H,66,67)/t36-,37-,40+,41+,42-,43-,44-,45-,46+,47+,48+,49+,50-,51-,52+,53+,55+,56+,59+,60+,61-,62-/m0/s1 |
| InChIKey | VJIWPJJDIPYGIF-LDUSDPFCSA-N |
| Literature Reference Author | C.GOTO,M.YAMAMURA,A.SATAKE,Y.KOBUKE |
| Literature Reference Citation | J.AM.CHEM.SOC.,123,12152(2001) |
| Literature Reference DOI | 10.1021/ja010761h |
| Molecular Weight | 1047.467 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI24141 |