| SpectraBase Compound ID | 9r1qpE6mlg |
|---|---|
| InChI | InChI=1S/C72H100O31/c1-32(73)85-29-46-50(90-35(4)76)53(93-38(7)79)59(96-41(10)82)64(97-46)103-66(84)72-26-24-67(11,12)28-43(72)42-18-19-48-69(15)22-21-49(68(13,14)47(69)20-23-71(48,17)70(42,16)25-27-72)98-65-60(102-63-58(95-40(9)81)52(92-37(6)78)45(31-87-63)89-34(3)75)55-54(56(101-65)61(83)99-55)100-62-57(94-39(8)80)51(91-36(5)77)44(30-86-62)88-33(2)74/h18,43-60,62-65H,19-31H2,1-17H3/t43?,44-,45+,46+,47?,48?,49-,50+,51+,52-,53-,54-,55-,56+,57-,58+,59+,60-,62+,63-,64-,65+,69-,70+,71+,72-/m0/s1 |
| InChIKey | TYDDTLVRNQRBJR-DGJZCMFNSA-N |
| Mol Weight | 1461.6 g/mol |
| Molecular Formula | C72H100O31 |
| Exact Mass | 1460.624856 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L4bBzZutimw |
|---|---|
| Name | TYDDTLVRNQRBJR-DGJZCMFNSA-N |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C72H100O31 |
| InChI | InChI=1S/C72H100O31/c1-32(73)85-29-46-50(90-35(4)76)53(93-38(7)79)59(96-41(10)82)64(97-46)103-66(84)72-26-24-67(11,12)28-43(72)42-18-19-48-69(15)22-21-49(68(13,14)47(69)20-23-71(48,17)70(42,16)25-27-72)98-65-60(102-63-58(95-40(9)81)52(92-37(6)78)45(31-87-63)89-34(3)75)55-54(56(101-65)61(83)99-55)100-62-57(94-39(8)80)51(91-36(5)77)44(30-86-62)88-33(2)74/h18,43-60,62-65H,19-31H2,1-17H3/t43?,44-,45+,46+,47?,48?,49-,50+,51+,52-,53-,54-,55-,56+,57-,58+,59+,60-,62+,63-,64-,65+,69-,70+,71+,72-/m0/s1 |
| InChIKey | TYDDTLVRNQRBJR-DGJZCMFNSA-N |
| Literature Reference Author | C.M.CERDA-GARCIA-ROJAS,G.ZAMORANO,M.I.CHAVEZ,C.A.N.CATALAN,P .JOSEPH-NATHAN |
| Literature Reference Citation | MAGN.RES.CHEM.,38,494(2000) |
| Literature Reference DOI | 10.1002/1097-458x(200007)38:7<494::aid-mrc668>3.3.co;2-3 |
| Molecular Weight | 1461.567 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI3347 |