![HEINSIAGENIN-A-3-O-[[BETA-D-GLUCOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1->6)]-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1->2)]-](/api/spectrum/AGGgUbFejO4/structure.png?h=300&w=458 "HEINSIAGENIN-A-3-O-[[BETA-D-GLUCOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1->6)]-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1->2)]-")
| SpectraBase Compound ID | 4w4w51lCAlQ |
|---|---|
| InChI | InChI=1S/C72H115NO32/c1-27(12-11-13-28(2)60(91)73-41-29(3)30(4)94-61(41)92)33-16-18-70(10)39-15-14-38-68(7,8)40(17-19-71(38)26-72(39,71)21-20-69(33,70)9)101-66-59(55(90)56(36(24-76)99-66)102-62-52(87)47(82)42(77)31(5)95-62)105-67-58(104-63-53(88)48(83)43(78)32(6)96-63)51(86)46(81)37(100-67)25-93-65-57(50(85)45(80)35(23-75)98-65)103-64-54(89)49(84)44(79)34(22-74)97-64/h11-13,27,29-59,62-67,74-90H,14-26H2,1-10H3,(H,73,91)/b12-11+,28-13+/t27?,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+,62-,63-,64-,65+,66-,67-,69+,70-,71+,72-/m1/s1 |
| InChIKey | SWDLROQBTZGBCL-MLKUEOTMSA-N |
| Mol Weight | 1506.7 g/mol |
| Molecular Formula | C72H115NO32 |
| Exact Mass | 1505.740221 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AGGgUbFejO4 |
|---|---|
| Name | HEINSIAGENIN-A-3-O-[[BETA-D-GLUCOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1->6)]-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1->2)]- |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C72H115NO32 |
| InChI | InChI=1S/C72H115NO32/c1-27(12-11-13-28(2)60(91)73-41-29(3)30(4)94-61(41)92)33-16-18-70(10)39-15-14-38-68(7,8)40(17-19-71(38)26-72(39,71)21-20-69(33,70)9)101-66-59(55(90)56(36(24-76)99-66)102-62-52(87)47(82)42(77)31(5)95-62)105-67-58(104-63-53(88)48(83)43(78)32(6)96-63)51(86)46(81)37(100-67)25-93-65-57(50(85)45(80)35(23-75)98-65)103-64-54(89)49(84)44(79)34(22-74)97-64/h11-13,27,29-59,62-67,74-90H,14-26H2,1-10H3,(H,73,91)/b12-11+,28-13+/t27?,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+,62-,63-,64-,65+,66-,67-,69+,70-,71+,72-/m1/s1 |
| InChIKey | SWDLROQBTZGBCL-MLKUEOTMSA-N |
| Literature Reference Author | W.ZHAO,J.L.WOLFENDER,K.HOSTETTMANN,K.CHENG,R.XU,G.QIN |
| Literature Reference Citation | PHYTOCHEM.,45,1073(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00089-7 |
| Molecular Weight | 1506.693 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSP467 |