| SpectraBase Compound ID | Di5CZQD5xnQ |
|---|---|
| InChI | InChI=1S/C48H78O16/c1-22(2)14-16-32(49)25(6)21-31-43(57)47(11)19-12-13-30(47)26(7)48(31,58)20-18-24(5)33(17-15-23(3)4)62-44-39(55)36(52)41(28(9)60-44)64-46-40(56)37(53)42(29(10)61-46)63-45-38(54)35(51)34(50)27(8)59-45/h14-15,18,21,26-42,44-46,49-56,58H,12-13,16-17,19-20H2,1-11H3/b24-18+,25-21+/t26-,27-,28-,29+,30+,31?,32?,33?,34-,35+,36-,37+,38+,39-,40-,41+,42+,44+,45-,46+,47+,48-/m0/s1 |
| InChIKey | IHPMRLHOFXBSRX-TWXSZQOKSA-N |
| Mol Weight | 911.1 g/mol |
| Molecular Formula | C48H78O16 |
| Exact Mass | 910.528986 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | qeZClQxQRa |
|---|---|
| Name | XESTOVANIN-C |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H78O16 |
| InChI | InChI=1S/C48H78O16/c1-22(2)14-16-32(49)25(6)21-31-43(57)47(11)19-12-13-30(47)26(7)48(31,58)20-18-24(5)33(17-15-23(3)4)62-44-39(55)36(52)41(28(9)60-44)64-46-40(56)37(53)42(29(10)61-46)63-45-38(54)35(51)34(50)27(8)59-45/h14-15,18,21,26-42,44-46,49-56,58H,12-13,16-17,19-20H2,1-11H3/b24-18+,25-21+/t26-,27-,28-,29+,30+,31?,32?,33?,34-,35+,36-,37+,38+,39-,40-,41+,42+,44+,45-,46+,47+,48-/m0/s1 |
| InChIKey | IHPMRLHOFXBSRX-TWXSZQOKSA-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 | 911.138 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWVP5524 |