| SpectraBase Compound ID | Gw6lirw2E6k |
|---|---|
| InChI | InChI=1S/C53H86O22/c1-22-31(58)35(62)38(65)43(68-22)73-41-40(72-44-37(64)34(61)28(20-55)70-44)32(59)23(2)69-46(41)75-47(67)53-15-13-48(3,4)17-25(53)24-9-10-30-49(5)18-26(57)42(74-45-39(66)36(63)33(60)27(19-54)71-45)50(6,21-56)29(49)11-12-52(30,8)51(24,7)14-16-53/h9,22-23,25-46,54-66H,10-21H2,1-8H3/t22-,23+,25?,26-,27+,28+,29?,30?,31-,32-,33+,34+,35?,36-,37-,38+,39+,40-,41+,42-,43-,44-,45-,46-,49-,50-,51+,52+,53-/m0/s1 |
| InChIKey | SRIUOVYSLUXXRO-OEXQYMEYSA-N |
| Mol Weight | 1075.2 g/mol |
| Molecular Formula | C53H86O22 |
| Exact Mass | 1074.561074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GdIav1sZ6RX |
|---|---|
| Name | BELLIDIASTROSIDE-B3;3-O-BETA-D-GLUCOPYRANOSYL-2-BETA,3-BETA,23-TRIHYDROXYOLEAN-12-EN-28-OIC-ACID-28-O-ALPHA-L-ARABINOFURANOSYL-(1->3)-[ALPHA |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H86O22 |
| InChI | InChI=1S/C53H86O22/c1-22-31(58)35(62)38(65)43(68-22)73-41-40(72-44-37(64)34(61)28(20-55)70-44)32(59)23(2)69-46(41)75-47(67)53-15-13-48(3,4)17-25(53)24-9-10-30-49(5)18-26(57)42(74-45-39(66)36(63)33(60)27(19-54)71-45)50(6,21-56)29(49)11-12-52(30,8)51(24,7)14-16-53/h9,22-23,25-46,54-66H,10-21H2,1-8H3/t22-,23+,25?,26-,27+,28+,29?,30?,31-,32-,33+,34+,35?,36-,37-,38+,39+,40-,41+,42-,43-,44-,45-,46-,49-,50-,51+,52+,53-/m0/s1 |
| InChIKey | SRIUOVYSLUXXRO-OEXQYMEYSA-N |
| Literature Reference Author | T.SCHOEPKE,C.AL-TAWAHA,V.WRAY,M.NIMTZ,K.HILLER |
| Literature Reference Citation | PHYTOCHEM.,45,125(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00776-5 |
| Molecular Weight | 1075.253 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSP1226 |