| SpectraBase Compound ID | AtuLkdFYC8U |
|---|---|
| InChI | InChI=1S/C68H108O25/c1-10-13-15-19-27-34-46(70)88-62-61(93-64-52(76)50(74)48(72)38(5)80-64)57(90-65-53(77)58(55(40(7)82-65)89-63(79)37(4)12-3)87-47(71)36-35-43-29-24-22-25-30-43)42(9)84-68(62)91-56-41(8)83-66-54(78)59(56)86-45(69)33-28-21-18-16-17-20-26-32-44(31-23-14-11-2)85-67-60(92-66)51(75)49(73)39(6)81-67/h22,24-25,29-30,35-42,44,48-62,64-68,72-78H,10-21,23,26-28,31-34H2,1-9H3/b36-35+/t37-,38+,39-,40+,41+,42+,44+,48+,49+,50-,51+,52-,53-,54-,55+,56+,57+,58+,59+,60-,61-,62-,64+,65+,66+,67+,68+/m1/s1 |
| InChIKey | WMRCZJJWLYGRFG-NHADEOROSA-N |
| Mol Weight | 1325.6 g/mol |
| Molecular Formula | C68H108O25 |
| Exact Mass | 1324.717969 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6OOSJ6QWOaS |
|---|---|
| Name | PESCAPREIN_XXVIII |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C68H108O25 |
| InChI | InChI=1S/C68H108O25/c1-10-13-15-19-27-34-46(70)88-62-61(93-64-52(76)50(74)48(72)38(5)80-64)57(90-65-53(77)58(55(40(7)82-65)89-63(79)37(4)12-3)87-47(71)36-35-43-29-24-22-25-30-43)42(9)84-68(62)91-56-41(8)83-66-54(78)59(56)86-45(69)33-28-21-18-16-17-20-26-32-44(31-23-14-11-2)85-67-60(92-66)51(75)49(73)39(6)81-67/h22,24-25,29-30,35-42,44,48-62,64-68,72-78H,10-21,23,26-28,31-34H2,1-9H3/b36-35+/t37-,38+,39-,40+,41+,42+,44+,48+,49+,50-,51+,52-,53-,54-,55+,56+,57+,58+,59+,60-,61-,62-,64+,65+,66+,67+,68+/m1/s1 |
| InChIKey | WMRCZJJWLYGRFG-NHADEOROSA-N |
| Literature Reference Author | B.W.YU,J.G.LUO,J.S.WANG,D.M.ZHANG,S.S.YU,L.Y.KONG |
| Literature Reference Citation | J.NAT.PROD.,74,620(2011) |
| Literature Reference DOI | 10.1021/np100640f |
| Molecular Weight | 1325.591 g/mol |
| Sample ID | 37388 |
| Solvent | C5D5N |