| SpectraBase Compound ID | 3ENIUDtBI1r |
|---|---|
| InChI | InChI=1S/C52H66O30/c1-13-32-33(36(47(63)65-11)19-71-49(32)81-51-45(77-30(9)60)43(75-28(7)58)41(73-26(5)56)38(79-51)21-69-24(3)54)14-17-68-40(62)18-35-34(15-16-67-23(2)53)50(72-20-37(35)48(64)66-12)82-52-46(78-31(10)61)44(76-29(8)59)42(74-27(6)57)39(80-52)22-70-25(4)55/h13,15,19-20,32-33,35,38-39,41-46,49-52H,1,14,16-18,21-22H2,2-12H3/b34-15-/t32-,33+,35+,38+,39+,41+,42+,43-,44-,45+,46+,49+,50+,51-,52-/m1/s1 |
| InChIKey | NPAVNKRIAWSLQL-FZYGSOIHSA-N |
| Mol Weight | 1171.1 g/mol |
| Molecular Formula | C52H66O30 |
| Exact Mass | 1170.363891 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I35qf2n4lyP |
|---|---|
| Name | NONAACETYLPENTLANDIOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H66O30 |
| InChI | InChI=1S/C52H66O30/c1-13-32-33(36(47(63)65-11)19-71-49(32)81-51-45(77-30(9)60)43(75-28(7)58)41(73-26(5)56)38(79-51)21-69-24(3)54)14-17-68-40(62)18-35-34(15-16-67-23(2)53)50(72-20-37(35)48(64)66-12)82-52-46(78-31(10)61)44(76-29(8)59)42(74-27(6)57)39(80-52)22-70-25(4)55/h13,15,19-20,32-33,35,38-39,41-46,49-52H,1,14,16-18,21-22H2,2-12H3/b34-15-/t32-,33+,35+,38+,39+,41+,42+,43-,44-,45+,46+,49+,50+,51-,52-/m1/s1 |
| InChIKey | NPAVNKRIAWSLQL-FZYGSOIHSA-N |
| Literature Reference Author | M.NICOLETTI,A.DI_FABIO,A.PASTOR_DE_ABRAM,M.R.URRUNAGA |
| Literature Reference Citation | PLANTA.MED.,62,178(1996) |
| Literature Reference DOI | 10.1055/s-2006-957848 |
| Molecular Weight | 1171.078 g/mol |
| Solvent | CD3OD |
| Source File Reference | UIAP820 |