| SpectraBase Compound ID | BoyqCNZGsH9 |
|---|---|
| InChI | InChI=1S/C42H58N2O12/c1-20-10-13-30(55-31-18-40(7,44(51)52)35(25(6)54-31)43-39(50)53-9)21(2)15-27-16-26(19-45)24(5)17-42(27)37(48)32(38(49)56-42)36(47)41(8)29(20)12-11-28-33(41)22(3)14-23(4)34(28)46/h10-12,15-16,22-25,27-31,33-35,45-46,48H,13-14,17-19H2,1-9H3,(H,43,50)/b20-10+,21-15+/t22-,23-,24+,25+,27+,28-,29-,30-,31-,33+,34-,35-,40-,41+,42-/m0/s1 |
| InChIKey | MLFFTLJFBITXTG-XOUIXKOHSA-N |
| Mol Weight | 782.9 g/mol |
| Molecular Formula | C42H58N2O12 |
| Exact Mass | 782.398975 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JWB2i5hfC51 |
|---|---|
| Name | O-BETA-KIJANOSYL-(1->17)-KIJANOLIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H58N2O12 |
| InChI | InChI=1S/C42H58N2O12/c1-20-10-13-30(55-31-18-40(7,44(51)52)35(25(6)54-31)43-39(50)53-9)21(2)15-27-16-26(19-45)24(5)17-42(27)37(48)32(38(49)56-42)36(47)41(8)29(20)12-11-28-33(41)22(3)14-23(4)34(28)46/h10-12,15-16,22-25,27-31,33-35,45-46,48H,13-14,17-19H2,1-9H3,(H,43,50)/b20-10+,21-15+/t22-,23-,24+,25+,27+,28-,29-,30-,31-,33+,34-,35-,40-,41+,42-/m0/s1 |
| InChIKey | MLFFTLJFBITXTG-XOUIXKOHSA-N |
| Literature Reference Author | H.Q.PAN,S.Y.ZHANG,N.WANG,Z.L.LI,H.M.HUA,J.C.HU,S.J.WANG |
| Literature Reference Citation | MAR.DRUGS,11,3891(2013) |
| Literature Reference DOI | 10.3390/md11103891 |
| Molecular Weight | 782.929 g/mol |
| Source File Reference | UWBT6479 |