![JENISSEENSOSIDE-C;3-O-[BETA-D-GALACTOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL]-28-O-[[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-[4-O-TRANS-PARA-METHOXYCIN](/api/spectrum/3tfQ71cSEZ2/structure.png?h=300&w=458 "JENISSEENSOSIDE-C;3-O-[BETA-D-GALACTOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL]-28-O-[[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-[4-O-TRANS-PARA-METHOXYCIN")
| SpectraBase Compound ID | 4GKGhePEkWQ |
|---|---|
| InChI | InChI=1S/C64H92O26/c1-28-40(69)42(71)46(75)54(82-28)89-52-48(77)49(86-39(68)17-12-30-10-13-31(81-9)14-11-30)29(2)83-56(52)90-58(80)64-23-22-59(3,4)24-33(64)32-15-16-36-60(5)20-19-38(61(6,27-66)35(60)18-21-62(36,7)63(32,8)25-37(64)67)85-57-51(45(74)44(73)50(87-57)53(78)79)88-55-47(76)43(72)41(70)34(26-65)84-55/h10-15,17,27-29,33-38,40-52,54-57,65,67,69-77H,16,18-26H2,1-9H3,(H,78,79)/b17-12+/t28-,29+,33?,34+,35?,36?,37+,38-,40-,41-,42+,43-,44-,45-,46+,47+,48-,49-,50-,51+,52+,54-,55-,56-,57+,60-,61-,62+,63+,64+/m0/s1 |
| InChIKey | OZOKLZWUTXESGO-LCPJICICSA-N |
| Mol Weight | 1277.4 g/mol |
| Molecular Formula | C64H92O26 |
| Exact Mass | 1276.587683 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3tfQ71cSEZ2 |
|---|---|
| Name | JENISSEENSOSIDE-C;3-O-[BETA-D-GALACTOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL]-28-O-[[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-[4-O-TRANS-PARA-METHOXYCIN |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H92O26 |
| InChI | InChI=1S/C64H92O26/c1-28-40(69)42(71)46(75)54(82-28)89-52-48(77)49(86-39(68)17-12-30-10-13-31(81-9)14-11-30)29(2)83-56(52)90-58(80)64-23-22-59(3,4)24-33(64)32-15-16-36-60(5)20-19-38(61(6,27-66)35(60)18-21-62(36,7)63(32,8)25-37(64)67)85-57-51(45(74)44(73)50(87-57)53(78)79)88-55-47(76)43(72)41(70)34(26-65)84-55/h10-15,17,27-29,33-38,40-52,54-57,65,67,69-77H,16,18-26H2,1-9H3,(H,78,79)/b17-12+/t28-,29+,33?,34+,35?,36?,37+,38-,40-,41-,42+,43-,44-,45-,46+,47+,48-,49-,50-,51+,52+,54-,55-,56-,57+,60-,61-,62+,63+,64+/m0/s1 |
| InChIKey | OZOKLZWUTXESGO-LCPJICICSA-N |
| Literature Reference Author | M.A.LACAILLE-DUBOIS,B.HANQUET,Z.H.CUI,Z.C.LOU,H.WAGNER |
| Literature Reference Citation | PHYTOCHEM.,45,985(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00087-3 |
| Molecular Weight | 1277.419 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWPA1083 |