![RENIEROSIDE_A_5;1-O-BETA-D-GLUCOPYANOSYL-(2-S,3-R,4-E,8-E,10-E)-2-[(2'-R)-HYROXYTETRACOSANOYLAMINO]-OCTADECA-4,8,10-TRIENE-1,3-DIOL](/api/spectrum/1jzRPQqEMId/structure.png?h=300&w=458 "RENIEROSIDE_A_5;1-O-BETA-D-GLUCOPYANOSYL-(2-S,3-R,4-E,8-E,10-E)-2-[(2'-R)-HYROXYTETRACOSANOYLAMINO]-OCTADECA-4,8,10-TRIENE-1,3-DIOL")
| SpectraBase Compound ID | JWBJZ2j76jq |
|---|---|
| InChI | InChI=1S/C48H89NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-42(52)47(56)49-40(39-57-48-46(55)45(54)44(53)43(38-50)58-48)41(51)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h16,24,26,28,34,36,40-46,48,50-55H,3-15,17-23,25,27,29-33,35,37-39H2,1-2H3,(H,49,56)/b24-16+,28-26+,36-34+/t40-,41+,42-,43-,44-,45+,46-,48-/m0/s1 |
| InChIKey | DQZBHYFTNIRPFM-JXKQHQTHSA-N |
| Mol Weight | 824.2 g/mol |
| Molecular Formula | C48H89NO9 |
| Exact Mass | 823.653733 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1jzRPQqEMId |
|---|---|
| Name | RENIEROSIDE_A_5;1-O-BETA-D-GLUCOPYANOSYL-(2-S,3-R,4-E,8-E,10-E)-2-[(2'-R)-HYROXYTETRACOSANOYLAMINO]-OCTADECA-4,8,10-TRIENE-1,3-DIOL |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H89NO9 |
| InChI | InChI=1S/C48H89NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-42(52)47(56)49-40(39-57-48-46(55)45(54)44(53)43(38-50)58-48)41(51)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h16,24,26,28,34,36,40-46,48,50-55H,3-15,17-23,25,27,29-33,35,37-39H2,1-2H3,(H,49,56)/b24-16+,28-26+,36-34+/t40-,41+,42-,43-,44-,45+,46-,48-/m0/s1 |
| InChIKey | DQZBHYFTNIRPFM-JXKQHQTHSA-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 | 824.236 g/mol |
| Sample ID | 31554 |
| Solvent | CD3OD |