| SpectraBase Compound ID | Bp8rRnr93vM |
|---|---|
| InChI | InChI=1S/C80H128O39/c1-31(18-21-81)12-11-13-34(25-82)66(103)113-46-24-80(74(104)119-73-65(56(97)50(91)39(27-84)111-73)118-71-61(102)63(116-70-60(101)53(94)49(90)38(26-83)109-70)62(33(3)108-71)115-69-58(99)51(92)40(28-85)110-69)36(22-75(46,4)5)35-14-15-43-77(8)19-17-45(76(6,7)42(77)16-20-78(43,9)79(35,10)23-44(80)87)114-68-59(100)54(95)52(93)41(112-68)30-106-72-64(55(96)47(88)32(2)107-72)117-67-57(98)48(89)37(86)29-105-67/h13-14,18,32-33,36-65,67-73,81-102H,11-12,15-17,19-30H2,1-10H3/b31-18+,34-13+/t32-,33-,36+,37-,38+,39+,40-,41-,42+,43-,44+,45+,46+,47+,48+,49+,50+,51-,52-,53-,54+,55+,56-,57-,58+,59-,60+,61+,62-,63-,64-,65+,67+,68+,69-,70-,71-,72-,73-,77+,78-,79-,80-/m1/s1 |
| InChIKey | JHZVFJMFGDOVNY-DPIWRDSZSA-N |
| Mol Weight | 1713.9 g/mol |
| Molecular Formula | C80H128O39 |
| Exact Mass | 1712.803274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kft66CXazay |
|---|---|
| Name | PITHELUCOSIDE_C;21-O-8-HYDROXY-2-E-HYDROXYMETHYL-6-E-METHYL-2,6-OCTADIENOYL-3-O-BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-FUCOPYRANOSYL-(1->6)-BETA- |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C80H128O39 |
| InChI | InChI=1S/C80H128O39/c1-31(18-21-81)12-11-13-34(25-82)66(103)113-46-24-80(74(104)119-73-65(56(97)50(91)39(27-84)111-73)118-71-61(102)63(116-70-60(101)53(94)49(90)38(26-83)109-70)62(33(3)108-71)115-69-58(99)51(92)40(28-85)110-69)36(22-75(46,4)5)35-14-15-43-77(8)19-17-45(76(6,7)42(77)16-20-78(43,9)79(35,10)23-44(80)87)114-68-59(100)54(95)52(93)41(112-68)30-106-72-64(55(96)47(88)32(2)107-72)117-67-57(98)48(89)37(86)29-105-67/h13-14,18,32-33,36-65,67-73,81-102H,11-12,15-17,19-30H2,1-10H3/b31-18+,34-13+/t32-,33-,36+,37-,38+,39+,40-,41-,42+,43-,44+,45+,46+,47+,48+,49+,50+,51-,52-,53-,54+,55+,56-,57-,58+,59-,60+,61+,62-,63-,64-,65+,67+,68+,69-,70-,71-,72-,73-,77+,78-,79-,80-/m1/s1 |
| InChIKey | JHZVFJMFGDOVNY-DPIWRDSZSA-N |
| Literature Reference Author | S.G.MA,Y.C.HU,S.S.YU,Y.ZHANG,X.G.CHEN,J.LIU,Y.X.LIU |
| Literature Reference Citation | J.NAT.PROD.,71,41(2008) |
| Literature Reference DOI | 10.1021/np0703794 |
| Molecular Weight | 1713.873 g/mol |
| Sample ID | 27102 |
| Solvent | C5D5N |