| SpectraBase Compound ID | FimSANU1d06 |
|---|---|
| InChI | InChI=1S/C29H35N3O12/c1-6-17-18-9-21-23-20(30-12-31-23)7-8-32(21)27(37)19(18)10-39-28(17)44-29-26(42-16(5)36)25(41-15(4)35)24(40-14(3)34)22(43-29)11-38-13(2)33/h6,10,12,17-18,21-22,24-26,28-29H,1,7-9,11H2,2-5H3,(H,30,31)/t17-,18+,21+,22+,24+,25-,26+,28+,29-/m1/s1 |
| InChIKey | PQVBIQARAKYZNJ-AGJHTRIESA-N |
| Mol Weight | 617.6 g/mol |
| Molecular Formula | C29H35N3O12 |
| Exact Mass | 617.222074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1GOyR1VXD86 |
|---|---|
| Name | O',O',O',O'-TETRAACETYLISOHISTELOSAMIDE |
| Compound Number | 7A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H35N3O12 |
| InChI | InChI=1S/C29H35N3O12/c1-6-17-18-9-21-23-20(30-12-31-23)7-8-32(21)27(37)19(18)10-39-28(17)44-29-26(42-16(5)36)25(41-15(4)35)24(40-14(3)34)22(43-29)11-38-13(2)33/h6,10,12,17-18,21-22,24-26,28-29H,1,7-9,11H2,2-5H3,(H,30,31)/t17-,18+,21+,22+,24+,25-,26+,28+,29-/m1/s1 |
| InChIKey | PQVBIQARAKYZNJ-AGJHTRIESA-N |
| Literature Reference Author | G.BEKE,L.F.SZABO,B.PODANYI |
| Literature Reference Citation | J.NAT.PROD.,65,649(2002) |
| Literature Reference DOI | 10.1021/np010415d |
| Molecular Weight | 617.610 g/mol |
| Solvent | C6D6 |
| Source File Reference | UWSI4143 |