| SpectraBase Compound ID | IyUd8lQsjHW |
|---|---|
| InChI | InChI=1S/C65H102O25/c1-11-14-21-28-41-29-24-18-16-15-17-19-25-30-42(66)83-55-50(74)63(89-56-47(71)45(69)36(7)78-64(56)82-41)80-38(9)52(55)88-65-58(86-60(76)34(5)13-3)57(90-61-48(72)46(70)44(68)35(6)77-61)53(39(10)81-65)87-62-49(73)54(51(37(8)79-62)85-59(75)33(4)12-2)84-43(67)32-31-40-26-22-20-23-27-40/h20,22-23,26-27,31-39,41,44-58,61-65,68-74H,11-19,21,24-25,28-30H2,1-10H3/b32-31+/t33-,34-,35+,36-,37+,38+,39+,41+,44+,45?,46-,47+,48-,49-,50-,51+,52+,53+,54+,55+,56-,57-,58-,61+,62+,63+,64+,65+/m1/s1 |
| InChIKey | PDASUJRDCXKFJL-YCVKZOPRSA-N |
| Mol Weight | 1283.5 g/mol |
| Molecular Formula | C65H102O25 |
| Exact Mass | 1282.671019 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A8rT17piXNX |
|---|---|
| Name | PESCAPREIN_XXVII |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C65H102O25 |
| InChI | InChI=1S/C65H102O25/c1-11-14-21-28-41-29-24-18-16-15-17-19-25-30-42(66)83-55-50(74)63(89-56-47(71)45(69)36(7)78-64(56)82-41)80-38(9)52(55)88-65-58(86-60(76)34(5)13-3)57(90-61-48(72)46(70)44(68)35(6)77-61)53(39(10)81-65)87-62-49(73)54(51(37(8)79-62)85-59(75)33(4)12-2)84-43(67)32-31-40-26-22-20-23-27-40/h20,22-23,26-27,31-39,41,44-58,61-65,68-74H,11-19,21,24-25,28-30H2,1-10H3/b32-31+/t33-,34-,35+,36-,37+,38+,39+,41+,44+,45?,46-,47+,48-,49-,50-,51+,52+,53+,54+,55+,56-,57-,58-,61+,62+,63+,64+,65+/m1/s1 |
| InChIKey | PDASUJRDCXKFJL-YCVKZOPRSA-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 | 1283.510 g/mol |
| Sample ID | 37387 |
| Solvent | C5D5N |