![CATUNAROSIDE-J;3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-ARJUNIC-ACID-28-O-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/1iD3XVyaPLU/structure.png?h=300&w=458 "CATUNAROSIDE-J;3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-ARJUNIC-ACID-28-O-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | 3OuNtogKhWa |
|---|---|
| InChI | InChI=1S/C54H88O25/c1-49(2)12-14-54(48(71)79-46-39(69)36(66)32(62)25(19-57)74-46)15-13-52(6)21(29(54)42(49)70)8-9-28-51(5)16-22(59)43(50(3,4)27(51)10-11-53(28,52)7)78-47-41(77-45-38(68)35(65)31(61)24(18-56)73-45)40(33(63)26(20-58)75-47)76-44-37(67)34(64)30(60)23(17-55)72-44/h8,22-47,55-70H,9-20H2,1-7H3/t22-,23-,24+,25-,26-,27+,28-,29-,30-,31+,32-,33-,34+,35-,36+,37-,38+,39-,40+,41-,42+,43+,44+,45-,46+,47+,51+,52-,53-,54+/m1/s1 |
| InChIKey | ANJPGTHCAABDSY-IZKHBOSLSA-N |
| Mol Weight | 1137.3 g/mol |
| Molecular Formula | C54H88O25 |
| Exact Mass | 1136.561468 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1iD3XVyaPLU |
|---|---|
| Name | CATUNAROSIDE-J;3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-ARJUNIC-ACID-28-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H88O25 |
| InChI | InChI=1S/C54H88O25/c1-49(2)12-14-54(48(71)79-46-39(69)36(66)32(62)25(19-57)74-46)15-13-52(6)21(29(54)42(49)70)8-9-28-51(5)16-22(59)43(50(3,4)27(51)10-11-53(28,52)7)78-47-41(77-45-38(68)35(65)31(61)24(18-56)73-45)40(33(63)26(20-58)75-47)76-44-37(67)34(64)30(60)23(17-55)72-44/h8,22-47,55-70H,9-20H2,1-7H3/t22-,23-,24+,25-,26-,27+,28-,29-,30-,31+,32-,33-,34+,35-,36+,37-,38+,39-,40+,41-,42+,43+,44+,45-,46+,47+,51+,52-,53-,54+/m1/s1 |
| InChIKey | ANJPGTHCAABDSY-IZKHBOSLSA-N |
| Literature Reference Author | J.LI,X.HUANG,X.H.JIANG,Q.F.ZHU,Y.YANG,G.C.GAO |
| Literature Reference Citation | CHEM.PHARM.BULL.,63,388(2015) |
| Literature Reference DOI | 10.1248/cpb.c15-00055 |
| Molecular Weight | 1137.278 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWPA10064 |