| SpectraBase Compound ID | CrqsEFLuFPp |
|---|---|
| InChI | InChI=1S/C46H44O13/c1-21-13-33(39-23(3)45(53)58-43(39)41-27(17-31(49)37(21)41)19-55-35(51)15-25-5-9-29(47)10-6-25)57-34-14-22(2)38-32(50)18-28(42(38)44-40(34)24(4)46(54)59-44)20-56-36(52)16-26-7-11-30(48)12-8-26/h5-12,17-18,24,33-34,39-44,47-48H,3,13-16,19-20H2,1-2,4H3/t24-,33+,34-,39-,40+,41+,42-,43+,44-/m0/s1 |
| InChIKey | OTYHDULWLBXHKM-RLPDHMFUSA-N |
| Mol Weight | 804.8 g/mol |
| Molecular Formula | C46H44O13 |
| Exact Mass | 804.278191 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 | JmjMcYabEa5 |
|---|---|
| Name | LACTUCAIN-C |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H44O13 |
| InChI | InChI=1S/C46H44O13/c1-21-13-33(39-23(3)45(53)58-43(39)41-27(17-31(49)37(21)41)19-55-35(51)15-25-5-9-29(47)10-6-25)57-34-14-22(2)38-32(50)18-28(42(38)44-40(34)24(4)46(54)59-44)20-56-36(52)16-26-7-11-30(48)12-8-26/h5-12,17-18,24,33-34,39-44,47-48H,3,13-16,19-20H2,1-2,4H3/t24-,33+,34-,39-,40+,41+,42-,43+,44-/m0/s1 |
| InChIKey | OTYHDULWLBXHKM-RLPDHMFUSA-N |
| Literature Reference Author | C.C.HOU,S.J.LIN,J.T.CHENG,F.L.HSU |
| Literature Reference Citation | J.NAT.PROD.,66,625(2003) |
| Literature Reference DOI | 10.1021/np0205349 |
| Molecular Weight | 804.848 g/mol |
| Solvent | ACETONE-D6:D2O |
| Source File Reference | UWSI7712 |