| SpectraBase Compound ID | 2jPWBU1c9e5 |
|---|---|
| InChI | InChI=1S/C54H92O24/c1-11-12-18-21-33-22-19-16-14-13-15-17-20-23-35(57)73-46-43(76-51-41(63)40(62)42(31(9)69-51)74-50(66)27(5)29(7)56)32(10)70-54(47(46)75-48(64)25(2)3)78-45-39(61)37(59)34(24-67-49(65)26(4)28(6)55)72-53(45)77-44-38(60)36(58)30(8)68-52(44)71-33/h25-34,36-47,51-56,58-63H,11-24H2,1-10H3/t26?,27?,28?,29?,30-,31-,32+,33+,34-,36-,37-,38+,39+,40-,41-,42-,43+,44-,45-,46-,47-,51+,52+,53+,54+/m1/s1 |
| InChIKey | NNRCWJQQWDANSU-LQMMEGFYSA-N |
| Mol Weight | 1125.3 g/mol |
| Molecular Formula | C54H92O24 |
| Exact Mass | 1124.597854 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KwiM385QHx6 |
|---|---|
| Name | STANSIN-1 |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H92O24 |
| InChI | InChI=1S/C54H92O24/c1-11-12-18-21-33-22-19-16-14-13-15-17-20-23-35(57)73-46-43(76-51-41(63)40(62)42(31(9)69-51)74-50(66)27(5)29(7)56)32(10)70-54(47(46)75-48(64)25(2)3)78-45-39(61)37(59)34(24-67-49(65)26(4)28(6)55)72-53(45)77-44-38(60)36(58)30(8)68-52(44)71-33/h25-34,36-47,51-56,58-63H,11-24H2,1-10H3/t26?,27?,28?,29?,30-,31-,32+,33+,34-,36-,37-,38+,39+,40-,41-,42-,43+,44-,45-,46-,47-,51+,52+,53+,54+/m1/s1 |
| InChIKey | NNRCWJQQWDANSU-LQMMEGFYSA-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 | 1125.310 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWMZ8106 |