| SpectraBase Compound ID | K7nACA6Xr3p |
|---|---|
| InChI | InChI=1S/C52H84O21/c1-23-32(56)36(60)39(63)43(69-23)72-41-34(58)27(55)20-67-45(41)71-31-11-12-48(4)29(49(31,5)22-53)10-13-51(7)30(48)9-8-24-25-18-47(2,3)14-16-52(25,17-15-50(24,51)6)46(65)73-44-40(64)37(61)35(59)28(70-44)21-68-42-38(62)33(57)26(54)19-66-42/h8,23,25-45,53-64H,9-22H2,1-7H3/t23-,25-,26+,27-,28+,29+,30+,31-,32-,33-,34-,35+,36+,37-,38+,39+,40+,41+,42-,43-,44-,45-,48?,49-,50?,51?,52-/m0/s1 |
| InChIKey | KKOYZFANWKYAIZ-VKJHOONQSA-N |
| Mol Weight | 1045.2 g/mol |
| Molecular Formula | C52H84O21 |
| Exact Mass | 1044.55051 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4NPURAKl5lf |
|---|---|
| Name | 3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-HEDERAGENIN-28-O-BETA-D-XYLOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYLESTER;REFERENCE-4 |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H84O21 |
| InChI | InChI=1S/C52H84O21/c1-23-32(56)36(60)39(63)43(69-23)72-41-34(58)27(55)20-67-45(41)71-31-11-12-48(4)29(49(31,5)22-53)10-13-51(7)30(48)9-8-24-25-18-47(2,3)14-16-52(25,17-15-50(24,51)6)46(65)73-44-40(64)37(61)35(59)28(70-44)21-68-42-38(62)33(57)26(54)19-66-42/h8,23,25-45,53-64H,9-22H2,1-7H3/t23-,25-,26+,27-,28+,29+,30+,31-,32-,33-,34-,35+,36+,37-,38+,39+,40+,41+,42-,43-,44-,45-,48?,49-,50?,51?,52-/m0/s1 |
| InChIKey | KKOYZFANWKYAIZ-VKJHOONQSA-N |
| Literature Reference Author | J.S.KIM,S.H.SHIM,S.CHAE,S.J.HAN,S.S.KANG,K.H.SON,H.W.CHANG,H .P.KIM,K.BAE |
| Literature Reference Citation | CHEM.PHARM.BULL.,53,696(2005) |
| Literature Reference DOI | 10.1248/cpb.53.696 |
| Molecular Weight | 1045.226 g/mol |
| Sample ID | 53942 |
| Solvent | C5D5N |