| SpectraBase Compound ID | 7NrffxujICc |
|---|---|
| InChI | InChI=1S/C42H66O12/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/h13-16,27-30,32,34-41,43,46-50H,7,11-12,17-21H2,1-6,8-10H3/b24-16+,25-15+/t27-,28-,29+,30?,32?,34-,35+,36-,37+,38-,39+,40+,41-,42+/m1/s1 |
| InChIKey | HEWSGOMXOQCVEP-QJIPHDQFSA-N |
| Mol Weight | 763.0 g/mol |
| Molecular Formula | C42H66O12 |
| Exact Mass | 762.455428 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 | BjVFqEGVN9i |
|---|---|
| Name | SECODEHYDRO-XESTOVANIN-A |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H66O12 |
| InChI | InChI=1S/C42H66O12/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/h13-16,27-30,32,34-41,43,46-50H,7,11-12,17-21H2,1-6,8-10H3/b24-16+,25-15+/t27-,28-,29+,30?,32?,34-,35+,36-,37+,38-,39+,40+,41-,42+/m1/s1 |
| InChIKey | HEWSGOMXOQCVEP-QJIPHDQFSA-N |
| Literature Reference Author | S.A.MORRIS,P.T.NORTHCOTE,R.J.ANDERSEN |
| Literature Reference Citation | CAN.J.CHEM.,69,1352(1991) |
| Literature Reference DOI | 10.1139/v91-201 |
| Molecular Weight | 762.979 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVP5528 |