| SpectraBase Compound ID | FT6Iy3Bhkgv |
|---|---|
| InChI | InChI=1S/C42H68O12/c1-22(2)13-17-30(43)24(5)16-20-33(45)42(10)21-11-12-29(42)26(7)31(44)18-15-25(6)32(19-14-23(3)4)53-40-38(50)36(48)39(28(9)52-40)54-41-37(49)35(47)34(46)27(8)51-41/h13-16,26-30,32,34-41,43,46-50H,11-12,17-21H2,1-10H3/b24-16+,25-15+/t26-,27+,28+,29?,30?,32?,34+,35-,36+,37-,38+,39-,40-,41+,42-/m0/s1 |
| InChIKey | AYAPNMKZGPQYJA-IPGFLMBBSA-N |
| Mol Weight | 765.0 g/mol |
| Molecular Formula | C42H68O12 |
| Exact Mass | 764.471078 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 | 3DM3N015Qqb |
|---|---|
| Name | SECO-XESTOVANIN-A |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H68O12 |
| InChI | InChI=1S/C42H68O12/c1-22(2)13-17-30(43)24(5)16-20-33(45)42(10)21-11-12-29(42)26(7)31(44)18-15-25(6)32(19-14-23(3)4)53-40-38(50)36(48)39(28(9)52-40)54-41-37(49)35(47)34(46)27(8)51-41/h13-16,26-30,32,34-41,43,46-50H,11-12,17-21H2,1-10H3/b24-16+,25-15+/t26-,27+,28+,29?,30?,32?,34+,35-,36+,37-,38+,39-,40-,41+,42-/m0/s1 |
| InChIKey | AYAPNMKZGPQYJA-IPGFLMBBSA-N |
| Literature Reference Author | P.T.NORTHCOTE,R.J.ANDERSEN |
| Literature Reference Citation | J.AM.CHEM.SOC.,111,6276(1989) |
| Literature Reference DOI | 10.1021/ja00198a044 |
| Molecular Weight | 764.995 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWED10690 |