![#1;CHAKASAPONIN-V;21,22-DI-O-TIGLOYL-R1-BARRIGENOL-3-O-[BETA-D-GALACTOPYRANOSYL-(1->2)]-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-(1->3)]-BETA-D](/api/spectrum/9EEwVeXnjkj/structure.png?h=300&w=458 "#1;CHAKASAPONIN-V;21,22-DI-O-TIGLOYL-R1-BARRIGENOL-3-O-[BETA-D-GALACTOPYRANOSYL-(1->2)]-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-(1->3)]-BETA-D")
| SpectraBase Compound ID | 4slpSSb4Ij4 |
|---|---|
| InChI | InChI=1S/C63H98O27/c1-13-25(3)52(79)89-49-50(90-53(80)26(4)14-2)63(24-65)29(21-58(49,6)7)28-15-16-33-60(10)19-18-34(59(8,9)32(60)17-20-61(33,11)62(28,12)47(75)48(63)76)84-57-46(88-55-41(73)39(71)37(69)31(22-64)83-55)43(42(74)44(86-57)51(77)78)85-56-45(36(68)30(66)23-81-56)87-54-40(72)38(70)35(67)27(5)82-54/h13-15,27,29-50,54-57,64-76H,16-24H2,1-12H3,(H,77,78)/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-,54-,55+,56-,57+,60-,61+,62-,63-/m0/s1 |
| InChIKey | DEKODVOGMCTSPQ-JVKBILMTSA-N |
| Mol Weight | 1287.4 g/mol |
| Molecular Formula | C63H98O27 |
| Exact Mass | 1286.629548 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9EEwVeXnjkj |
|---|---|
| Name | #1;CHAKASAPONIN-V;21,22-DI-O-TIGLOYL-R1-BARRIGENOL-3-O-[BETA-D-GALACTOPYRANOSYL-(1->2)]-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-(1->3)]-BETA-D |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C63H98O27 |
| InChI | InChI=1S/C63H98O27/c1-13-25(3)52(79)89-49-50(90-53(80)26(4)14-2)63(24-65)29(21-58(49,6)7)28-15-16-33-60(10)19-18-34(59(8,9)32(60)17-20-61(33,11)62(28,12)47(75)48(63)76)84-57-46(88-55-41(73)39(71)37(69)31(22-64)83-55)43(42(74)44(86-57)51(77)78)85-56-45(36(68)30(66)23-81-56)87-54-40(72)38(70)35(67)27(5)82-54/h13-15,27,29-50,54-57,64-76H,16-24H2,1-12H3,(H,77,78)/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-,54-,55+,56-,57+,60-,61+,62-,63-/m0/s1 |
| InChIKey | DEKODVOGMCTSPQ-JVKBILMTSA-N |
| Literature Reference Author | M.YOSHIKAWA,S.SUGIMOTO,S.NAKAMURA,H.MATSUDA |
| Literature Reference Citation | CHEM.PHARM.BULL.,56,1297(2008) |
| Literature Reference DOI | 10.1248/cpb.56.1297 |
| Molecular Weight | 1287.455 g/mol |
| Sample ID | 2223 |
| Solvent | C5D5N |