![RENIEROSIDE_A_4;1-O-BETA-D-GLUCOPYANOSYL-(2-S,3-R,4-E,8-E,10-E)-2-[(2'-R)-HYDROXYDOCODANOYLAMINO]-OCTADECA-4,8,10-TRIENE-1,3-DIOL](/api/spectrum/1pJSvmdu3Tf/structure.png?h=300&w=458 "RENIEROSIDE_A_4;1-O-BETA-D-GLUCOPYANOSYL-(2-S,3-R,4-E,8-E,10-E)-2-[(2'-R)-HYDROXYDOCODANOYLAMINO]-OCTADECA-4,8,10-TRIENE-1,3-DIOL")
| SpectraBase Compound ID | 48cN6xohrZT |
|---|---|
| InChI | InChI=1S/C46H85NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-40(50)45(54)47-38(37-55-46-44(53)43(52)42(51)41(36-48)56-46)39(49)34-32-30-28-26-24-22-16-14-12-10-8-6-4-2/h16,22,24,26,32,34,38-44,46,48-53H,3-15,17-21,23,25,27-31,33,35-37H2,1-2H3,(H,47,54)/b22-16+,26-24+,34-32+/t38-,39+,40-,41-,42-,43+,44-,46-/m0/s1 |
| InChIKey | XESDOPMJHRNWTH-NKCTUHIUSA-N |
| Mol Weight | 796.2 g/mol |
| Molecular Formula | C46H85NO9 |
| Exact Mass | 795.622433 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1pJSvmdu3Tf |
|---|---|
| Name | RENIEROSIDE_A_4;1-O-BETA-D-GLUCOPYANOSYL-(2-S,3-R,4-E,8-E,10-E)-2-[(2'-R)-HYDROXYDOCODANOYLAMINO]-OCTADECA-4,8,10-TRIENE-1,3-DIOL |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H85NO9 |
| InChI | InChI=1S/C46H85NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-40(50)45(54)47-38(37-55-46-44(53)43(52)42(51)41(36-48)56-46)39(49)34-32-30-28-26-24-22-16-14-12-10-8-6-4-2/h16,22,24,26,32,34,38-44,46,48-53H,3-15,17-21,23,25,27-31,33,35-37H2,1-2H3,(H,47,54)/b22-16+,26-24+,34-32+/t38-,39+,40-,41-,42-,43+,44-,46-/m0/s1 |
| InChIKey | XESDOPMJHRNWTH-NKCTUHIUSA-N |
| Literature Reference Author | T.A.MANSOOR,P.B.SHINDE,X.LUO,J.HONG,C.O.LEE,C.J.SIM,B.W.SON, J.H.JUNG |
| Literature Reference Citation | J.NAT.PROD.,70,1481(2007) |
| Literature Reference DOI | 10.1021/np070078u |
| Molecular Weight | 796.182 g/mol |
| Sample ID | 31553 |
| Solvent | CD3OD |