![#1;CLEMATIUNICINOSIDE-A;3-O-BETA-D-RIBOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->4)]-ALPHA-L-ARABINOPYRANOSYL-OLEAN-12-EN-28-O](/api/spectrum/IiTItbh6Sil/structure.png?h=300&w=458 "#1;CLEMATIUNICINOSIDE-A;3-O-BETA-D-RIBOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->4)]-ALPHA-L-ARABINOPYRANOSYL-OLEAN-12-EN-28-O")
| SpectraBase Compound ID | JqJrgSH2DnM |
|---|---|
| InChI | InChI=1S/C70H114O34/c1-26-38(74)44(80)49(85)59(94-26)101-54-32(22-72)97-57(52(88)47(54)83)92-24-33-42(78)46(82)51(87)61(98-33)104-64(90)70-18-16-65(3,4)20-29(70)28-10-11-36-67(7)14-13-37(66(5,6)35(67)12-15-69(36,9)68(28,8)17-19-70)100-63-56(43(79)34(25-93-63)99-60-50(86)45(81)41(77)31(21-71)96-60)103-62-53(89)55(39(75)27(2)95-62)102-58-48(84)40(76)30(73)23-91-58/h10,26-27,29-63,71-89H,11-25H2,1-9H3/t26-,27+,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-,56-,57-,58+,59-,60+,61+,62+,63+,67+,68-,69-,70+/m1/s1 |
| InChIKey | ZPSFHHIZWMURAT-GDCAHPETSA-N |
| Mol Weight | 1499.6 g/mol |
| Molecular Formula | C70H114O34 |
| Exact Mass | 1498.719151 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IiTItbh6Sil |
|---|---|
| Name | #1;CLEMATIUNICINOSIDE-A;3-O-BETA-D-RIBOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->4)]-ALPHA-L-ARABINOPYRANOSYL-OLEAN-12-EN-28-O |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C70H114O34 |
| InChI | InChI=1S/C70H114O34/c1-26-38(74)44(80)49(85)59(94-26)101-54-32(22-72)97-57(52(88)47(54)83)92-24-33-42(78)46(82)51(87)61(98-33)104-64(90)70-18-16-65(3,4)20-29(70)28-10-11-36-67(7)14-13-37(66(5,6)35(67)12-15-69(36,9)68(28,8)17-19-70)100-63-56(43(79)34(25-93-63)99-60-50(86)45(81)41(77)31(21-71)96-60)103-62-53(89)55(39(75)27(2)95-62)102-58-48(84)40(76)30(73)23-91-58/h10,26-27,29-63,71-89H,11-25H2,1-9H3/t26-,27+,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-,56-,57-,58+,59-,60+,61+,62+,63+,67+,68-,69-,70+/m1/s1 |
| InChIKey | ZPSFHHIZWMURAT-GDCAHPETSA-N |
| Literature Reference Author | S.G.LI,X.J.HUANG,M.M.LI,M.WANG,R.B.FENG,W.ZHANG,Y.L.LI,Y.WAN G,W.C.YE |
| Literature Reference Citation | CHEM.PHARM.BULL.,62,35(2014) |
| Literature Reference DOI | 10.1248/cpb.c13-00269 |
| Molecular Weight | 1499.655 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWBT13806 |