| SpectraBase Compound ID | 2MM0QBs5rLv |
|---|---|
| InChI | InChI=1S/C44H70O14/c1-24-13-12-14-33(46)36(53-10)22-37(41(49)44(51)30(7)20-28(5)35(58-44)21-32(45)23-52-9)56-42(50)29(6)19-26(3)17-25(2)18-27(4)34(16-15-24)57-43-39(48)38(47)40(54-11)31(8)55-43/h13,15-20,27-28,31-41,43,45-49,51H,12,14,21-23H2,1-11H3/b16-15+,24-13+,25-18+,26-17+,29-19+/t27-,28-,31+,32+,33+,34-,35-,36+,37+,38+,39+,40+,41-,43+,44-/m1/s1 |
| InChIKey | SBSGNQDUDIXSDL-OHHKMPQKSA-N |
| Mol Weight | 823.0 g/mol |
| Molecular Formula | C44H70O14 |
| Exact Mass | 822.476557 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8KPUJ09raog |
|---|---|
| Name | TRUNCATED-APOPTOLIDIN |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H70O14 |
| InChI | InChI=1S/C44H70O14/c1-24-13-12-14-33(46)36(53-10)22-37(41(49)44(51)30(7)20-28(5)35(58-44)21-32(45)23-52-9)56-42(50)29(6)19-26(3)17-25(2)18-27(4)34(16-15-24)57-43-39(48)38(47)40(54-11)31(8)55-43/h13,15-20,27-28,31-41,43,45-49,51H,12,14,21-23H2,1-11H3/b16-15+,24-13+,25-18+,26-17+,29-19+/t27-,28-,31+,32+,33+,34-,35-,36+,37+,38+,39+,40+,41-,43+,44-/m1/s1 |
| InChIKey | SBSGNQDUDIXSDL-OHHKMPQKSA-N |
| Literature Reference Author | A.R.SALOMON,Y.ZHANG,H.SETO,C.KHOSLA |
| Literature Reference Citation | ORG.LETTERS,3,57(2001) |
| Literature Reference DOI | 10.1021/ol006767d |
| Molecular Weight | 823.031 g/mol |
| Solvent | Unknown |
| Source File Reference | UWLU33605 |