![#1;YUCHASAPONIN-A;21,22-DI-O-TIGLOYL-R1-BARRIGENOL-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL-(1->3)]-BETA-D-GLUC](/api/spectrum/Fnvb4Ypd7b3/structure.png?h=300&w=458 "#1;YUCHASAPONIN-A;21,22-DI-O-TIGLOYL-R1-BARRIGENOL-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL-(1->3)]-BETA-D-GLUC")
| SpectraBase Compound ID | K439qXRtFFH |
|---|---|
| InChI | InChI=1S/C64H100O28/c1-13-25(3)53(81)91-50-51(92-54(82)26(4)14-2)64(24-67)29(21-59(50,6)7)28-15-16-33-61(10)19-18-34(60(8,9)32(61)17-20-62(33,11)63(28,12)48(77)49(64)78)86-58-47(90-56-42(75)39(72)36(69)30(22-65)84-56)44(43(76)45(88-58)52(79)80)87-57-46(40(73)37(70)31(23-66)85-57)89-55-41(74)38(71)35(68)27(5)83-55/h13-15,27,29-51,55-58,65-78H,16-24H2,1-12H3,(H,79,80)/b25-13+,26-14+/t27-,29+,30-,31+,32+,33-,34+,35-,36-,37-,38+,39+,40-,41+,42-,43-,44-,45-,46+,47+,48+,49-,50+,51+,55-,56+,57-,58+,61+,62-,63+,64+/m1/s1 |
| InChIKey | MWOHZWYDIQDYSO-JGWSAHQXSA-N |
| Mol Weight | 1317.5 g/mol |
| Molecular Formula | C64H100O28 |
| Exact Mass | 1316.640113 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fnvb4Ypd7b3 |
|---|---|
| Name | #1;YUCHASAPONIN-A;21,22-DI-O-TIGLOYL-R1-BARRIGENOL-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL-(1->3)]-BETA-D-GLUC |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H100O28 |
| InChI | InChI=1S/C64H100O28/c1-13-25(3)53(81)91-50-51(92-54(82)26(4)14-2)64(24-67)29(21-59(50,6)7)28-15-16-33-61(10)19-18-34(60(8,9)32(61)17-20-62(33,11)63(28,12)48(77)49(64)78)86-58-47(90-56-42(75)39(72)36(69)30(22-65)84-56)44(43(76)45(88-58)52(79)80)87-57-46(40(73)37(70)31(23-66)85-57)89-55-41(74)38(71)35(68)27(5)83-55/h13-15,27,29-51,55-58,65-78H,16-24H2,1-12H3,(H,79,80)/b25-13+,26-14+/t27-,29+,30-,31+,32+,33-,34+,35-,36-,37-,38+,39+,40-,41+,42-,43-,44-,45-,46+,47+,48+,49-,50+,51+,55-,56+,57-,58+,61+,62-,63+,64+/m1/s1 |
| InChIKey | MWOHZWYDIQDYSO-JGWSAHQXSA-N |
| Literature Reference Author | S.SUGIMOTO,G.CHI,Y.KATO,S.NAKAMURA,H.MATSUDA,M.YOSHIKAWA |
| Literature Reference Citation | CHEM.PHARM.BULL.,57,269(2009) |
| Literature Reference DOI | 10.1248/cpb.57.269 |
| Molecular Weight | 1317.481 g/mol |
| Sample ID | 2258 |
| Solvent | C5D5N |