![SARCOEHRENOSIDE_B;1-O-(BETA-D-GLUCOPYRANOSYL)-(2-S,3-R,4-E,8-E)-2-[(2'-R)-2'-HYDROXYHENICOSANOYLAMINO]-9-METHYL](/api/spectrum/30P290Baw9o/structure.png?h=300&w=458 "SARCOEHRENOSIDE_B;1-O-(BETA-D-GLUCOPYRANOSYL)-(2-S,3-R,4-E,8-E)-2-[(2'-R)-2'-HYDROXYHENICOSANOYLAMINO]-9-METHYL")
| SpectraBase Compound ID | KU7Ow9js7r5 |
|---|---|
| InChI | InChI=1S/C46H87NO9/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-23-25-29-34-40(50)45(54)47-38(36-55-46-44(53)43(52)42(51)41(35-48)56-46)39(49)33-30-26-28-32-37(3)31-27-24-22-11-9-7-5-2/h30,32-33,38-44,46,48-53H,4-29,31,34-36H2,1-3H3,(H,47,54)/b33-30+,37-32+/t38-,39+,40+,41-,42-,43+,44-,46-/m0/s1 |
| InChIKey | ZEZXTAJHLKWQFN-XYETXYHJSA-N |
| Mol Weight | 798.2 g/mol |
| Molecular Formula | C46H87NO9 |
| Exact Mass | 797.638083 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 30P290Baw9o |
|---|---|
| Name | SARCOEHRENOSIDE_B;1-O-(BETA-D-GLUCOPYRANOSYL)-(2-S,3-R,4-E,8-E)-2-[(2'-R)-2'-HYDROXYHENICOSANOYLAMINO]-9-METHYL |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H87NO9 |
| InChI | InChI=1S/C46H87NO9/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-23-25-29-34-40(50)45(54)47-38(36-55-46-44(53)43(52)42(51)41(35-48)56-46)39(49)33-30-26-28-32-37(3)31-27-24-22-11-9-7-5-2/h30,32-33,38-44,46,48-53H,4-29,31,34-36H2,1-3H3,(H,47,54)/b33-30+,37-32+/t38-,39+,40+,41-,42-,43+,44-,46-/m0/s1 |
| InChIKey | ZEZXTAJHLKWQFN-XYETXYHJSA-N |
| Literature Reference Author | S.Y.CHENG,Z.H.WEN,S.F.CHIOU,C.W.TSAI,S.K.WANG,C.H.HSU,C.F.DA I,M.Y.CHIANG,W.H.WAN |
| Literature Reference Citation | J.NAT.PROD.,72,465(2009) |
| Literature Reference DOI | 10.1021/np800362g |
| Molecular Weight | 798.198 g/mol |
| Sample ID | 32314 |
| Solvent | CD3OD |