| SpectraBase Compound ID | KDreL5y4vkx |
|---|---|
| InChI | InChI=1S/C55H94O24/c1-11-12-18-21-34-22-19-16-14-13-15-17-20-23-36(58)74-48-45(77-52-43(65)42(64)44(32(9)70-52)76-51(67)28(5)30(7)57)33(10)71-55(49(48)75-37(59)24-26(2)3)79-47-41(63)39(61)35(25-68-50(66)27(4)29(6)56)73-54(47)78-46-40(62)38(60)31(8)69-53(46)72-34/h26-35,38-49,52-57,60-65H,11-25H2,1-10H3/t27?,28?,29?,30?,31-,32-,33+,34+,35-,38-,39-,40+,41+,42-,43-,44-,45+,46-,47-,48-,49-,52+,53+,54+,55+/m1/s1 |
| InChIKey | JTHTZSOMPITLTF-DSHOZJNWSA-N |
| Mol Weight | 1139.3 g/mol |
| Molecular Formula | C55H94O24 |
| Exact Mass | 1138.613504 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 92dJ2Wt2d5R |
|---|---|
| Name | STANSIN-2 |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H94O24 |
| InChI | InChI=1S/C55H94O24/c1-11-12-18-21-34-22-19-16-14-13-15-17-20-23-36(58)74-48-45(77-52-43(65)42(64)44(32(9)70-52)76-51(67)28(5)30(7)57)33(10)71-55(49(48)75-37(59)24-26(2)3)79-47-41(63)39(61)35(25-68-50(66)27(4)29(6)56)73-54(47)78-46-40(62)38(60)31(8)69-53(46)72-34/h26-35,38-49,52-57,60-65H,11-25H2,1-10H3/t27?,28?,29?,30?,31-,32-,33+,34+,35-,38-,39-,40+,41+,42-,43-,44-,45+,46-,47-,48-,49-,52+,53+,54+,55+/m1/s1 |
| InChIKey | JTHTZSOMPITLTF-DSHOZJNWSA-N |
| Literature Reference Author | I.LEON,P.R.ENRIQUEZ,D.GNECCO,M.L.VILLARREAL,D.A.CORTES,W.F.R EYNOLDS,M.YU |
| Literature Reference Citation | J.NAT.PROD.,67,1552(2004) |
| Literature Reference DOI | 10.1021/np0400454 |
| Molecular Weight | 1139.337 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWMZ8107 |