| SpectraBase Compound ID | 27ubdy6ebgd |
|---|---|
| InChI | InChI=1S/C69H110O25/c1-10-12-14-15-17-21-29-35-47(71)89-63-62(94-65-53(77)51(75)49(73)39(5)81-65)58(91-66-54(78)59(56(41(7)83-66)90-64(80)38(3)4)88-48(72)37-36-44-30-25-23-26-31-44)43(9)85-69(63)92-57-42(8)84-67-55(79)60(57)87-46(70)34-28-22-19-16-18-20-27-33-45(32-24-13-11-2)86-68-61(93-67)52(76)50(74)40(6)82-68/h23,25-26,30-31,36-43,45,49-63,65-69,73-79H,10-22,24,27-29,32-35H2,1-9H3/b37-36+/t39-,40+,41-,42-,43-,45-,49-,50-,51+,52-,53+,54+,55+,56-,57-,58-,59-,60-,61+,62+,63+,65-,66-,67-,68-,69-/m0/s1 |
| InChIKey | ZBJCKZGRNIECHV-XCUAYSHFSA-N |
| Mol Weight | 1339.6 g/mol |
| Molecular Formula | C69H110O25 |
| Exact Mass | 1338.733619 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Urb7UEtIVF |
|---|---|
| Name | PESCAPREIN_XXVI |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C69H110O25 |
| InChI | InChI=1S/C69H110O25/c1-10-12-14-15-17-21-29-35-47(71)89-63-62(94-65-53(77)51(75)49(73)39(5)81-65)58(91-66-54(78)59(56(41(7)83-66)90-64(80)38(3)4)88-48(72)37-36-44-30-25-23-26-31-44)43(9)85-69(63)92-57-42(8)84-67-55(79)60(57)87-46(70)34-28-22-19-16-18-20-27-33-45(32-24-13-11-2)86-68-61(93-67)52(76)50(74)40(6)82-68/h23,25-26,30-31,36-43,45,49-63,65-69,73-79H,10-22,24,27-29,32-35H2,1-9H3/b37-36+/t39-,40+,41-,42-,43-,45-,49-,50-,51+,52-,53+,54+,55+,56-,57-,58-,59-,60-,61+,62+,63+,65-,66-,67-,68-,69-/m0/s1 |
| InChIKey | ZBJCKZGRNIECHV-XCUAYSHFSA-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 | 1339.617 g/mol |
| Sample ID | 37386 |
| Solvent | C5D5N |