| SpectraBase Compound ID | AiiXP4snsrw |
|---|---|
| InChI | InChI=1S/C68H118O34/c1-11-15-21-24-36(25-22-19-17-16-18-20-23-26-41(72)87-10)91-66-57(49(80)42(73)34(8)89-66)101-68-59(102-67-58(98-62(86)33(7)14-4)54(43(74)35(9)90-67)99-64-51(82)48(79)45(76)38(28-70)93-64)55(46(77)39(29-71)94-68)100-65-52(83)56(97-61(85)32(6)13-3)53(96-60(84)31(5)12-2)40(95-65)30-88-63-50(81)47(78)44(75)37(27-69)92-63/h31-40,42-59,63-71,73-83H,11-30H2,1-10H3/t31-,32-,33-,34+,35-,36-,37-,38+,39+,40+,42+,43-,44-,45+,46+,47+,48-,49-,50-,51+,52+,53+,54+,55-,56+,57+,58+,59+,63-,64-,65-,66-,67-,68-/m0/s1 |
| InChIKey | PBCQHRJRBROTFE-VWRZQBCJSA-N |
| Mol Weight | 1479.7 g/mol |
| Molecular Formula | C68H118O34 |
| Exact Mass | 1478.750451 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A1MvtBo9qgp |
|---|---|
| Name | #2;CALYSOLIN-XV;11S-JALAPINOLATE-11-O-BETA-D-GLUCOPYRANOSYL-(1->3)-O-(2-O-2S-METHYLBUTYRYL)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[O-BETA-D-GLUCOPYRANOSYL-(1->6)-O-(3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C68H118O34 |
| InChI | InChI=1S/C68H118O34/c1-11-15-21-24-36(25-22-19-17-16-18-20-23-26-41(72)87-10)91-66-57(49(80)42(73)34(8)89-66)101-68-59(102-67-58(98-62(86)33(7)14-4)54(43(74)35(9)90-67)99-64-51(82)48(79)45(76)38(28-70)93-64)55(46(77)39(29-71)94-68)100-65-52(83)56(97-61(85)32(6)13-3)53(96-60(84)31(5)12-2)40(95-65)30-88-63-50(81)47(78)44(75)37(27-69)92-63/h31-40,42-59,63-71,73-83H,11-30H2,1-10H3/t31-,32-,33-,34+,35-,36-,37-,38+,39+,40+,42+,43-,44-,45+,46+,47+,48-,49-,50-,51+,52+,53+,54+,55-,56+,57+,58+,59+,63-,64-,65-,66-,67-,68-/m0/s1 |
| InChIKey | PBCQHRJRBROTFE-VWRZQBCJSA-N |
| Literature Reference Author | M.ONO,A.TAKIGAWA,H.MUTO,K.KABATA,M.OKAWA,J.KINJO,K.YOKOMIZO, H.YOSHIMITSU,T.NOHAR |
| Literature Reference Citation | CHEM.PHARM.BULL.,63,641(2015) |
| Literature Reference DOI | 10.1248/cpb.c15-00307 |
| Molecular Weight | 1479.665 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWPA10110 |