| SpectraBase Compound ID | L5DtjmiCnCD |
|---|---|
| InChI | InChI=1S/C52H82O22/c1-21-38(71-42-35(61)30(56)24(53)19-67-42)34(60)37(63)43(69-21)73-40-31(57)25(54)20-68-45(40)74-46(66)52-16-15-47(2,3)17-23(52)22-9-10-27-49(6)13-12-29(70-44-36(62)32(58)33(59)39(72-44)41(64)65)48(4,5)26(49)11-14-50(27,7)51(22,8)18-28(52)55/h9,21,23-40,42-45,53-63H,10-20H2,1-8H3,(H,64,65)/t21-,23-,24-,25-,26-,27+,28+,29-,30+,31-,32-,33-,34-,35-,36+,37+,38-,39-,40+,42+,43-,44+,45-,49-,50+,51+,52+/m0/s1 |
| InChIKey | XCOCMBMWEVIXCI-VHYGWZTMSA-N |
| Mol Weight | 1059.2 g/mol |
| Molecular Formula | C52H82O22 |
| Exact Mass | 1058.529774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8x1hCeIh0n5 |
|---|---|
| Name | #14;IMPATIENOSIDE-G;3-O-BETA-D-GLUCORONOPYRANOSYL-ECHINOCYSTIC-ACID-28-O-3-O-BETA-D-XYLOPYRANOSYL-(1->4)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSI |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H82O22 |
| InChI | InChI=1S/C52H82O22/c1-21-38(71-42-35(61)30(56)24(53)19-67-42)34(60)37(63)43(69-21)73-40-31(57)25(54)20-68-45(40)74-46(66)52-16-15-47(2,3)17-23(52)22-9-10-27-49(6)13-12-29(70-44-36(62)32(58)33(59)39(72-44)41(64)65)48(4,5)26(49)11-14-50(27,7)51(22,8)18-28(52)55/h9,21,23-40,42-45,53-63H,10-20H2,1-8H3,(H,64,65)/t21-,23-,24-,25-,26-,27+,28+,29-,30+,31-,32-,33-,34-,35-,36+,37+,38-,39-,40+,42+,43-,44+,45-,49-,50+,51+,52+/m0/s1 |
| InChIKey | XCOCMBMWEVIXCI-VHYGWZTMSA-N |
| Literature Reference Author | W.LI,X.BI,K.WANG,D.LI,T.SATOU,K.KOIKE |
| Literature Reference Citation | PHYTOCHEM.,70,816(2009) |
| Literature Reference DOI | 10.1016/j.phytochem.2009.03.022 |
| Molecular Weight | 1059.210 g/mol |
| Sample ID | 64709 |
| Solvent | C5D5N |