| SpectraBase Compound ID | K3HFjrbGEOP |
|---|---|
| InChI | InChI=1S/C58H94O27/c1-52(2)29-7-11-55(5)30(8-12-58-31-15-53(3,22-62)13-14-57(31,23-77-58)32(63)16-56(55,58)6)54(29,4)10-9-33(52)83-50-45(85-49-44(74)40(70)35(65)25(18-60)79-49)38(68)28(21-76-50)82-51-46(41(71)36(66)26(19-61)80-51)84-47-42(72)37(67)27(20-75-47)81-48-43(73)39(69)34(64)24(17-59)78-48/h22,24-51,59-61,63-74H,7-21,23H2,1-6H3/t24-,25-,26-,27-,28+,29+,30-,31-,32-,33+,34-,35-,36-,37+,38+,39+,40+,41+,42-,43-,44-,45-,46-,47+,48+,49+,50+,51+,53+,54+,55-,56+,57-,58+/m1/s1 |
| InChIKey | RJIFKGNVULDCDZ-WIPYBSDTSA-N |
| Mol Weight | 1223.4 g/mol |
| Molecular Formula | C58H94O27 |
| Exact Mass | 1222.598248 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4LwF2soA1Gu |
|---|---|
| Name | ANDROSACIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H94O27 |
| InChI | InChI=1S/C58H94O27/c1-52(2)29-7-11-55(5)30(8-12-58-31-15-53(3,22-62)13-14-57(31,23-77-58)32(63)16-56(55,58)6)54(29,4)10-9-33(52)83-50-45(85-49-44(74)40(70)35(65)25(18-60)79-49)38(68)28(21-76-50)82-51-46(41(71)36(66)26(19-61)80-51)84-47-42(72)37(67)27(20-75-47)81-48-43(73)39(69)34(64)24(17-59)78-48/h22,24-51,59-61,63-74H,7-21,23H2,1-6H3/t24-,25-,26-,27-,28+,29+,30-,31-,32-,33+,34-,35-,36-,37+,38+,39+,40+,41+,42-,43-,44-,45-,46-,47+,48+,49+,50+,51+,53+,54+,55-,56+,57-,58+/m1/s1 |
| InChIKey | RJIFKGNVULDCDZ-WIPYBSDTSA-N |
| Literature Reference Author | W.DONG,X.LIU,X.LI,D.YANG,L.DING |
| Literature Reference Citation | FITOTERAPIA,82,782(2011) |
| Literature Reference DOI | 10.1016/j.fitote.2011.04.001 |
| Molecular Weight | 1223.368 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWDB1046 |