| SpectraBase Compound ID | Curjc0q24yW |
|---|---|
| InChI | InChI=1S/C58H96O19/c1-31-18-16-17-19-41(67-13)25-42(74-55(63)35(5)24-33(3)22-32(2)23-34(4)44(21-20-31)75-56-52(62)51(61)53(69-15)39(9)72-56)28-58(65)37(7)49(59)36(6)45(77-58)26-43(30-66-12)73-48-29-57(11,64)54(40(10)71-48)76-47-27-46(68-14)50(60)38(8)70-47/h18,20-24,34,36-54,56,59-62,64-65H,16-17,19,25-30H2,1-15H3/b21-20+,31-18+,32-23+,33-22+,35-24+/t34-,36+,37-,38-,39+,40+,41-,42+,43-,44-,45-,46-,47+,48+,49+,50-,51+,52+,53+,54+,56+,57+,58+/m1/s1 |
| InChIKey | UMPAUSPAGVKVQN-DDCUUZBRSA-N |
| Mol Weight | 1097.4 g/mol |
| Molecular Formula | C58H96O19 |
| Exact Mass | 1096.654581 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G4xKxf1s5oT |
|---|---|
| Name | APOPTOLIDIN-C |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H96O19 |
| InChI | InChI=1S/C58H96O19/c1-31-18-16-17-19-41(67-13)25-42(74-55(63)35(5)24-33(3)22-32(2)23-34(4)44(21-20-31)75-56-52(62)51(61)53(69-15)39(9)72-56)28-58(65)37(7)49(59)36(6)45(77-58)26-43(30-66-12)73-48-29-57(11,64)54(40(10)71-48)76-47-27-46(68-14)50(60)38(8)70-47/h18,20-24,34,36-54,56,59-62,64-65H,16-17,19,25-30H2,1-15H3/b21-20+,31-18+,32-23+,33-22+,35-24+/t34-,36+,37-,38-,39+,40+,41-,42+,43-,44-,45-,46-,47+,48+,49+,50-,51+,52+,53+,54+,56+,57+,58+/m1/s1 |
| InChIKey | UMPAUSPAGVKVQN-DDCUUZBRSA-N |
| Literature Reference Author | P.A.WENDER,M.SUKOPP,K.LONGCORE |
| Literature Reference Citation | ORG.LETTERS,7,3025(2005) |
| Literature Reference DOI | 10.1021/ol051074o |
| Molecular Weight | 1097.389 g/mol |
| Sample ID | 62893 |
| Solvent | CD3OD |