| SpectraBase Compound ID | GOsbVGiQpew |
|---|---|
| InChI | InChI=1S/C61H106O24/c1-10-13-15-16-18-22-27-31-40(63)80-55-54(85-57-46(69)44(67)41(64)33(5)73-57)50(83-58-48(71)51(43(66)35(7)74-58)81-56(72)32(4)12-3)37(9)77-61(55)82-49-36(8)76-60-53(47(49)70)79-39(62)30-26-23-20-17-19-21-25-29-38(28-24-14-11-2)78-59-52(84-60)45(68)42(65)34(6)75-59/h32-38,41-55,57-61,64-71H,10-31H2,1-9H3/t32-,33+,34-,35+,36+,37+,38+,41+,42+,43+,44-,45+,46-,47-,48-,49+,50+,51-,52-,53-,54-,55-,57+,58+,59+,60+,61+/m1/s1 |
| InChIKey | FOEGAVYCKSBQPD-SNIDBMPQSA-N |
| Mol Weight | 1223.5 g/mol |
| Molecular Formula | C61H106O24 |
| Exact Mass | 1222.707404 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3ytKI1Cvdqc |
|---|---|
| Name | PESCAPREIN_XXX;(11-S)-JALAPINOLIC_ACID_11-O-ALPHA-RHAMNOPYRANOSYL-(1->3)-4-O-[3- |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C61H106O24 |
| InChI | InChI=1S/C61H106O24/c1-10-13-15-16-18-22-27-31-40(63)80-55-54(85-57-46(69)44(67)41(64)33(5)73-57)50(83-58-48(71)51(43(66)35(7)74-58)81-56(72)32(4)12-3)37(9)77-61(55)82-49-36(8)76-60-53(47(49)70)79-39(62)30-26-23-20-17-19-21-25-29-38(28-24-14-11-2)78-59-52(84-60)45(68)42(65)34(6)75-59/h32-38,41-55,57-61,64-71H,10-31H2,1-9H3/t32-,33+,34-,35+,36+,37+,38+,41+,42+,43+,44-,45+,46-,47-,48-,49+,50+,51-,52-,53-,54-,55-,57+,58+,59+,60+,61+/m1/s1 |
| InChIKey | FOEGAVYCKSBQPD-SNIDBMPQSA-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 | 1223.498 g/mol |
| Sample ID | 37390 |
| Solvent | C5D5N |