| SpectraBase Compound ID | GHJmEhuSz5 |
|---|---|
| InChI | InChI=1S/C64H102O33/c1-24-34(69)40(75)47(95-52-45(80)41(76)46(25(2)90-52)94-50-42(77)37(72)31(20-86-50)93-55-48(81)64(85,23-88-55)22-87-51-43(78)38(73)35(70)29(18-65)91-51)54(89-24)97-57(84)62-13-12-58(3,4)16-27(62)26-8-9-32-59(5)17-28(68)49(96-53-44(79)39(74)36(71)30(19-66)92-53)61(7,56(82)83)33(59)10-11-60(32,6)63(26,21-67)15-14-62/h8,24-25,27-55,65-81,85H,9-23H2,1-7H3,(H,82,83)/t24-,25+,27+,28+,29+,30-,31+,32-,33-,34+,35-,36-,37-,38-,39+,40+,41+,42+,43+,44-,45-,46+,47-,48-,49+,50-,51+,52+,53+,54+,55-,59-,60-,61+,62+,63+,64+/m1/s1 |
| InChIKey | MEJLHBIJJUJKRK-LEZFAZKZSA-N |
| Mol Weight | 1399.5 g/mol |
| Molecular Formula | C64H102O33 |
| Exact Mass | 1398.630336 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B1EvceiFeY7 |
|---|---|
| Name | #2;POLYGALASAPONIN-XXIX;3-O-BETA-D-GLUCOPYRANOSYL-PRESENEGENIN-28-O-BETA-D-GALACTOPYRANOSYL-(1->5)-BETA-D-APIOFURANOSYL-(1->4)-BETA-D-XYLOPYRANOSYL-(1-> |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H102O33 |
| InChI | InChI=1S/C64H102O33/c1-24-34(69)40(75)47(95-52-45(80)41(76)46(25(2)90-52)94-50-42(77)37(72)31(20-86-50)93-55-48(81)64(85,23-88-55)22-87-51-43(78)38(73)35(70)29(18-65)91-51)54(89-24)97-57(84)62-13-12-58(3,4)16-27(62)26-8-9-32-59(5)17-28(68)49(96-53-44(79)39(74)36(71)30(19-66)92-53)61(7,56(82)83)33(59)10-11-60(32,6)63(26,21-67)15-14-62/h8,24-25,27-55,65-81,85H,9-23H2,1-7H3,(H,82,83)/t24-,25+,27+,28+,29+,30-,31+,32-,33-,34+,35-,36-,37-,38-,39+,40+,41+,42+,43+,44-,45-,46+,47-,48-,49+,50-,51+,52+,53+,54+,55-,59-,60-,61+,62+,63+,64+/m1/s1 |
| InChIKey | MEJLHBIJJUJKRK-LEZFAZKZSA-N |
| Literature Reference Author | D.ZHANG,T.MIYASE,M.KUROYANAGI,K.UMEHARA,A.UENO |
| Literature Reference Citation | CHEM.PHARM.BULL.,44,810(1996) |
| Literature Reference DOI | 10.1248/cpb.44.810 |
| Molecular Weight | 1399.494 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU31364 |