| SpectraBase Compound ID | LxYkvR9fiI2 |
|---|---|
| InChI | InChI=1S/C70H112O25/c1-10-13-15-16-18-22-30-36-48(72)90-64-63(95-66-54(78)52(76)50(74)40(5)82-66)59(92-67-55(79)60(57(42(7)84-67)91-65(81)39(4)12-3)89-49(73)38-37-45-31-26-24-27-32-45)44(9)86-70(64)93-58-43(8)85-68-56(80)61(58)88-47(71)35-29-23-20-17-19-21-28-34-46(33-25-14-11-2)87-69-62(94-68)53(77)51(75)41(6)83-69/h24,26-27,31-32,37-44,46,50-64,66-70,74-80H,10-23,25,28-30,33-36H2,1-9H3/b38-37+/t39-,40+,41-,42+,43+,44+,46+,50+,51+,52-,53+,54-,55-,56-,57+,58+,59+,60+,61+,62-,63-,64-,66+,67+,68+,69+,70+/m1/s1 |
| InChIKey | VCBSNBJPLWMYQG-TVXUVDCESA-N |
| Mol Weight | 1353.6 g/mol |
| Molecular Formula | C70H112O25 |
| Exact Mass | 1352.749269 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IYjmEkabh7N |
|---|---|
| Name | PESCAPREIN_XXIII;(11-S)-JALAPINOLIC_ACID_11-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-O- |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C70H112O25 |
| InChI | InChI=1S/C70H112O25/c1-10-13-15-16-18-22-30-36-48(72)90-64-63(95-66-54(78)52(76)50(74)40(5)82-66)59(92-67-55(79)60(57(42(7)84-67)91-65(81)39(4)12-3)89-49(73)38-37-45-31-26-24-27-32-45)44(9)86-70(64)93-58-43(8)85-68-56(80)61(58)88-47(71)35-29-23-20-17-19-21-28-34-46(33-25-14-11-2)87-69-62(94-68)53(77)51(75)41(6)83-69/h24,26-27,31-32,37-44,46,50-64,66-70,74-80H,10-23,25,28-30,33-36H2,1-9H3/b38-37+/t39-,40+,41-,42+,43+,44+,46+,50+,51+,52-,53+,54-,55-,56-,57+,58+,59+,60+,61+,62-,63-,64-,66+,67+,68+,69+,70+/m1/s1 |
| InChIKey | VCBSNBJPLWMYQG-TVXUVDCESA-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 | 1353.644 g/mol |
| Sample ID | 37383 |
| Solvent | C5D5N |