| SpectraBase Compound ID | B4Iq2lbXMwX |
|---|---|
| InChI | InChI=1S/C50H86O23/c1-8-10-16-19-29-20-17-14-12-11-13-15-18-21-32(54)68-43-39(69-45(61)24(3)9-2)35(57)30(22-51)66-49(43)71-40-36(58)31(23-52)67-50(72-42-38(60)34(56)27(6)63-47(42)65-29)44(40)73-48-41(37(59)33(55)28(7)64-48)70-46(62)25(4)26(5)53/h24-31,33-44,47-53,55-60H,8-23H2,1-7H3/t24-,25-,26-,27-,28+,29+,30-,31+,33+,34-,35-,36+,37-,38+,39+,40-,41-,42-,43-,44+,47+,48+,49+,50-/m0/s1 |
| InChIKey | PEXGEFOIWGLTKE-GHAGEHECSA-N |
| Mol Weight | 1055.2 g/mol |
| Molecular Formula | C50H86O23 |
| Exact Mass | 1054.555989 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AY80QnNNPKj |
|---|---|
| Name | CALYSOLIN_I;11-S-JALAPINOLIC_ACID_11-O-(2-O-2-S,3-S-NILOYL)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[0-(3-O-2-S-METHYLBUTYRYL |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H86O23 |
| InChI | InChI=1S/C50H86O23/c1-8-10-16-19-29-20-17-14-12-11-13-15-18-21-32(54)68-43-39(69-45(61)24(3)9-2)35(57)30(22-51)66-49(43)71-40-36(58)31(23-52)67-50(72-42-38(60)34(56)27(6)63-47(42)65-29)44(40)73-48-41(37(59)33(55)28(7)64-48)70-46(62)25(4)26(5)53/h24-31,33-44,47-53,55-60H,8-23H2,1-7H3/t24-,25-,26-,27-,28+,29+,30-,31+,33+,34-,35-,36+,37-,38+,39+,40-,41-,42-,43-,44+,47+,48+,49+,50-/m0/s1 |
| InChIKey | PEXGEFOIWGLTKE-GHAGEHECSA-N |
| Literature Reference Author | A.TAKIGAWA,H.MUTO,K.KABATA,M.OKAWA,J.KINJO,H.YOSHIMITSU,T.NO HARA,M.ONO |
| Literature Reference Citation | J.NAT.PROD.,74,2414(2011) |
| Literature Reference DOI | 10.1021/np2006378 |
| Molecular Weight | 1055.219 g/mol |
| Sample ID | 39542 |
| Solvent | C5D5N |