![RENIEROSIDE_A_1;1-O-BETA-D-GLUCOPYANOSYL-(2-S,3-R,4-E,8-E,10-E)-2-[(2'-R,21'-Z)-2'-HYDROXYOCTACOS-21'-ENYLAMINO]-OCTADECA-4,8,10-TRIENE-1,3-DIOL](/api/spectrum/JqOp9GKmwQW/structure.png?h=300&w=458 "RENIEROSIDE_A_1;1-O-BETA-D-GLUCOPYANOSYL-(2-S,3-R,4-E,8-E,10-E)-2-[(2'-R,21'-Z)-2'-HYDROXYOCTACOS-21'-ENYLAMINO]-OCTADECA-4,8,10-TRIENE-1,3-DIOL")
| SpectraBase Compound ID | Irh6foxvh6g |
|---|---|
| InChI | InChI=1S/C52H95NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-46(56)51(60)53-44(43-61-52-50(59)49(58)48(57)47(42-54)62-52)45(55)40-38-36-34-32-30-28-16-14-12-10-8-6-4-2/h13,15-16,28,30,32,38,40,44-50,52,54-59H,3-12,14,17-27,29,31,33-37,39,41-43H2,1-2H3,(H,53,60)/b15-13-,28-16+,32-30+,40-38+/t44-,45+,46-,47-,48-,49+,50-,52-/m0/s1 |
| InChIKey | POKVGEROOIJJMK-WIIDBYNRSA-N |
| Mol Weight | 878.3 g/mol |
| Molecular Formula | C52H95NO9 |
| Exact Mass | 877.700684 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JqOp9GKmwQW |
|---|---|
| Name | RENIEROSIDE_A_1;1-O-BETA-D-GLUCOPYANOSYL-(2-S,3-R,4-E,8-E,10-E)-2-[(2'-R,21'-Z)-2'-HYDROXYOCTACOS-21'-ENYLAMINO]-OCTADECA-4,8,10-TRIENE-1,3-DIOL |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H95NO9 |
| InChI | InChI=1S/C52H95NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-46(56)51(60)53-44(43-61-52-50(59)49(58)48(57)47(42-54)62-52)45(55)40-38-36-34-32-30-28-16-14-12-10-8-6-4-2/h13,15-16,28,30,32,38,40,44-50,52,54-59H,3-12,14,17-27,29,31,33-37,39,41-43H2,1-2H3,(H,53,60)/b15-13-,28-16+,32-30+,40-38+/t44-,45+,46-,47-,48-,49+,50-,52-/m0/s1 |
| InChIKey | POKVGEROOIJJMK-WIIDBYNRSA-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 | 878.328 g/mol |
| Sample ID | 31550 |
| Solvent | CD3OD |