| SpectraBase Compound ID | AbjyPXN1DKD |
|---|---|
| InChI | InChI=1S/C56H86N8O14/c1-13-35(8)48(62(9)10)56(76)78-49(34(6)7)53(73)59-40(27-37-21-23-38(66)24-22-37)50(70)60-41(31-65)51(71)58-39(26-32(2)3)44(67)29-45(68)61-47(33(4)5)52(72)57-30-46(69)63(11)43(28-36-18-15-14-16-19-36)54(74)64-25-17-20-42(64)55(75)77-12/h14-16,18-19,21-24,32-35,39-44,47-49,65-67H,13,17,20,25-31H2,1-12H3,(H,57,72)(H,58,71)(H,59,73)(H,60,70)(H,61,68)/t35-,39+,40+,41+,42+,43-,44-,47+,48+,49-/m1/s1 |
| InChIKey | NDLHEZRABDBDPY-OKEANDLPSA-N |
| Mol Weight | 1095.3 g/mol |
| Molecular Formula | C56H86N8O14 |
| Exact Mass | 1094.626349 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 | AAppbTkVAH8 |
|---|---|
| Name | SYMPLOCIN_A |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H86N8O14 |
| InChI | InChI=1S/C56H86N8O14/c1-13-35(8)48(62(9)10)56(76)78-49(34(6)7)53(73)59-40(27-37-21-23-38(66)24-22-37)50(70)60-41(31-65)51(71)58-39(26-32(2)3)44(67)29-45(68)61-47(33(4)5)52(72)57-30-46(69)63(11)43(28-36-18-15-14-16-19-36)54(74)64-25-17-20-42(64)55(75)77-12/h14-16,18-19,21-24,32-35,39-44,47-49,65-67H,13,17,20,25-31H2,1-12H3,(H,57,72)(H,58,71)(H,59,73)(H,60,70)(H,61,68)/t35-,39+,40+,41+,42+,43-,44-,47+,48+,49-/m1/s1 |
| InChIKey | NDLHEZRABDBDPY-OKEANDLPSA-N |
| Literature Reference Author | T.F.MOLINSKI,K.A.REYNOLDS,B.I.MORINAKA |
| Literature Reference Citation | J.NAT.PROD.,75,425(2012) |
| Literature Reference DOI | 10.1021/np200861n |
| Molecular Weight | 1095.344 g/mol |
| Sample ID | 40157 |
| Solvent | CD3CN |