| SpectraBase Compound ID | iUhv0qe2RU |
|---|---|
| InChI | InChI=1S/C58H96O20/c1-30-18-16-17-19-40(68-13)25-45(75-55(64)34(5)24-32(3)22-31(2)23-33(4)42(21-20-30)76-56-51(62)50(61)52(70-15)38(9)73-56)53(63)58(66)36(7)48(59)35(6)43(78-58)26-41(29-67-12)74-47-28-57(11,65)54(39(10)72-47)77-46-27-44(69-14)49(60)37(8)71-46/h18,20-24,33,35-54,56,59-63,65-66H,16-17,19,25-29H2,1-15H3/b21-20+,30-18+,31-23+,32-22+,34-24+/t33-,35+,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 | CBFPSWROKQDVMQ-HETPTNIESA-N |
| Mol Weight | 1113.4 g/mol |
| Molecular Formula | C58H96O20 |
| Exact Mass | 1112.649495 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2ZPGvy6GPzA |
|---|---|
| Name | APOPTOLIDIN-B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H96O20 |
| InChI | InChI=1S/C58H96O20/c1-30-18-16-17-19-40(68-13)25-45(75-55(64)34(5)24-32(3)22-31(2)23-33(4)42(21-20-30)76-56-51(62)50(61)52(70-15)38(9)73-56)53(63)58(66)36(7)48(59)35(6)43(78-58)26-41(29-67-12)74-47-28-57(11,65)54(39(10)72-47)77-46-27-44(69-14)49(60)37(8)71-46/h18,20-24,33,35-54,56,59-63,65-66H,16-17,19,25-29H2,1-15H3/b21-20+,30-18+,31-23+,32-22+,34-24+/t33-,35+,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 | CBFPSWROKQDVMQ-HETPTNIESA-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 | 1113.388 g/mol |
| Sample ID | 62892 |
| Solvent | CD3OD |