| SpectraBase Compound ID | 8E3MBJxy2IS |
|---|---|
| InChI | InChI=1S/C71H114O25/c1-10-12-14-15-16-17-20-23-31-37-49(73)91-65-64(96-67-55(79)53(77)51(75)41(5)83-67)60(93-68-56(80)61(58(43(7)85-68)92-66(82)40(3)4)90-50(74)39-38-46-32-27-25-28-33-46)45(9)87-71(65)94-59-44(8)86-69-57(81)62(59)89-48(72)36-30-24-21-18-19-22-29-35-47(34-26-13-11-2)88-70-63(95-69)54(78)52(76)42(6)84-70/h25,27-28,32-33,38-45,47,51-65,67-71,75-81H,10-24,26,29-31,34-37H2,1-9H3/b39-38+/t41-,42+,43-,44-,45-,47-,51-,52-,53+,54-,55+,56+,57+,58-,59-,60-,61-,62-,63+,64+,65+,67-,68-,69-,70-,71-/m0/s1 |
| InChIKey | GEIFMZOIUWDOQZ-DQRIPJEXSA-N |
| Mol Weight | 1367.7 g/mol |
| Molecular Formula | C71H114O25 |
| Exact Mass | 1366.764919 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9yZ3JQKLVJv |
|---|---|
| Name | PESCAPREIN_XXV |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C71H114O25 |
| InChI | InChI=1S/C71H114O25/c1-10-12-14-15-16-17-20-23-31-37-49(73)91-65-64(96-67-55(79)53(77)51(75)41(5)83-67)60(93-68-56(80)61(58(43(7)85-68)92-66(82)40(3)4)90-50(74)39-38-46-32-27-25-28-33-46)45(9)87-71(65)94-59-44(8)86-69-57(81)62(59)89-48(72)36-30-24-21-18-19-22-29-35-47(34-26-13-11-2)88-70-63(95-69)54(78)52(76)42(6)84-70/h25,27-28,32-33,38-45,47,51-65,67-71,75-81H,10-24,26,29-31,34-37H2,1-9H3/b39-38+/t41-,42+,43-,44-,45-,47-,51-,52-,53+,54-,55+,56+,57+,58-,59-,60-,61-,62-,63+,64+,65+,67-,68-,69-,70-,71-/m0/s1 |
| InChIKey | GEIFMZOIUWDOQZ-DQRIPJEXSA-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 | 1367.671 g/mol |
| Sample ID | 37385 |
| Solvent | C5D5N |