| SpectraBase Compound ID | 3RKVENoSepC |
|---|---|
| InChI | InChI=1S/C48H78O16/c1-22(2)14-16-32(62-45-41(56)38(53)42(29(10)61-45)64-46-40(55)37(52)35(50)28(9)60-46)24(5)18-20-48(58)26(7)30-13-12-19-47(30,11)43(57)31(48)21-25(6)33(17-15-23(3)4)63-44-39(54)36(51)34(49)27(8)59-44/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 | NSBJXDGZGSSJJM-SASGDJKWSA-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 | 8TLLbieibkJ |
|---|---|
| Name | XESTOVANIN-B |
| Compound Number | 7 |
| 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(62-45-41(56)38(53)42(29(10)61-45)64-46-40(55)37(52)35(50)28(9)60-46)24(5)18-20-48(58)26(7)30-13-12-19-47(30,11)43(57)31(48)21-25(6)33(17-15-23(3)4)63-44-39(54)36(51)34(49)27(8)59-44/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 | NSBJXDGZGSSJJM-SASGDJKWSA-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 | UWVP5523 |