![#5;RANUNCOSIDE-IV;3-BETA,15-ALPHA,16-ALPHA,21-BETA,22-ALPHA,28-HEXAHYDROXY-DELTA(12)-OLEANANE-21-O-TIGLOYL-22-ACETYL-3-O-[ALPHA-L-ARABINOPYRANOSYL-(1->6)]-[BET](/api/spectrum/KGhRH3O0Zen/structure.png?h=300&w=458 "#5;RANUNCOSIDE-IV;3-BETA,15-ALPHA,16-ALPHA,21-BETA,22-ALPHA,28-HEXAHYDROXY-DELTA(12)-OLEANANE-21-O-TIGLOYL-22-ACETYL-3-O-[ALPHA-L-ARABINOPYRANOSYL-(1->6)]-[BET")
| SpectraBase Compound ID | LqKWEEXGIMn |
|---|---|
| InChI | InChI=1S/C54H86O22/c1-11-23(2)45(68)76-43-44(71-24(3)57)54(22-56)26(18-49(43,4)5)25-12-13-31-51(8)16-15-32(50(6,7)30(51)14-17-52(31,9)53(25,10)41(66)42(54)67)74-48-40(75-47-39(65)36(62)34(60)28(19-55)72-47)37(63)35(61)29(73-48)21-70-46-38(64)33(59)27(58)20-69-46/h11-12,26-44,46-48,55-56,58-67H,13-22H2,1-10H3/b23-11+/t26-,27-,28+,29+,30-,31+,32-,33-,34+,35+,36-,37-,38+,39+,40+,41-,42+,43-,44-,46-,47-,48-,51-,52+,53-,54-/m0/s1 |
| InChIKey | VOFHSOVIGJCYTE-YDFVBYGGSA-N |
| Mol Weight | 1087.3 g/mol |
| Molecular Formula | C54H86O22 |
| Exact Mass | 1086.561074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KGhRH3O0Zen |
|---|---|
| Name | #5;RANUNCOSIDE-IV;3-BETA,15-ALPHA,16-ALPHA,21-BETA,22-ALPHA,28-HEXAHYDROXY-DELTA(12)-OLEANANE-21-O-TIGLOYL-22-ACETYL-3-O-[ALPHA-L-ARABINOPYRANOSYL-(1->6)]-[BET |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H86O22 |
| InChI | InChI=1S/C54H86O22/c1-11-23(2)45(68)76-43-44(71-24(3)57)54(22-56)26(18-49(43,4)5)25-12-13-31-51(8)16-15-32(50(6,7)30(51)14-17-52(31,9)53(25,10)41(66)42(54)67)74-48-40(75-47-39(65)36(62)34(60)28(19-55)72-47)37(63)35(61)29(73-48)21-70-46-38(64)33(59)27(58)20-69-46/h11-12,26-44,46-48,55-56,58-67H,13-22H2,1-10H3/b23-11+/t26-,27-,28+,29+,30-,31+,32-,33-,34+,35+,36-,37-,38+,39+,40+,41-,42+,43-,44-,46-,47-,48-,51-,52+,53-,54-/m0/s1 |
| InChIKey | VOFHSOVIGJCYTE-YDFVBYGGSA-N |
| Literature Reference Author | M.D.GRECA,A.FIORENTINO,P.MONACO,L.PREVITERA |
| Literature Reference Citation | PHYTOCHEM.,36,1479(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)89746-0 |
| Molecular Weight | 1087.264 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU26425 |