| SpectraBase Compound ID | 3io6LbdJJVd |
|---|---|
| InChI | InChI=1S/C56H90O26/c1-23(60)75-22-53(5)31-10-11-55(7)32(52(31,4)17-26(61)45(53)81-49-43(72)44(36(65)29(20-59)78-49)80-47-41(70)38(67)34(63)28(19-58)77-47)9-8-24-25-16-51(2,3)12-14-56(25,15-13-54(24,55)6)50(73)82-48-42(71)39(68)35(64)30(79-48)21-74-46-40(69)37(66)33(62)27(18-57)76-46/h8,25-49,57-59,61-72H,9-22H2,1-7H3/t25-,26-,27+,28+,29+,30+,31+,32+,33+,34+,35+,36+,37-,38-,39-,40+,41+,42+,43+,44-,45-,46+,47-,48-,49-,52-,53-,54+,55+,56-/m0/s1 |
| InChIKey | ZPVBQPUVOBJIEZ-REAVHJPDSA-N |
| Mol Weight | 1179.3 g/mol |
| Molecular Formula | C56H90O26 |
| Exact Mass | 1178.572033 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | EJdczzh3gv4 |
|---|---|
| Name | ASTERBATANOSIDE-I;#4;3-O-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL-23-O-ACETYL-BAYOGENIN-28-O-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H90O26 |
| InChI | InChI=1S/C56H90O26/c1-23(60)75-22-53(5)31-10-11-55(7)32(52(31,4)17-26(61)45(53)81-49-43(72)44(36(65)29(20-59)78-49)80-47-41(70)38(67)34(63)28(19-58)77-47)9-8-24-25-16-51(2,3)12-14-56(25,15-13-54(24,55)6)50(73)82-48-42(71)39(68)35(64)30(79-48)21-74-46-40(69)37(66)33(62)27(18-57)76-46/h8,25-49,57-59,61-72H,9-22H2,1-7H3/t25-,26-,27+,28+,29+,30+,31+,32+,33+,34+,35+,36+,37-,38-,39-,40+,41+,42+,43+,44-,45-,46+,47-,48-,49-,52-,53-,54+,55+,56-/m0/s1 |
| InChIKey | ZPVBQPUVOBJIEZ-REAVHJPDSA-N |
| Literature Reference Author | Y.SHAO,B.N.ZHOU,L.Z.LIN,G.A.CORDELL |
| Literature Reference Citation | PHYTOCHEM.,38,927(1995) |
| Literature Reference DOI | 10.1016/0031-9422(94)00744-E |
| Molecular Weight | 1179.315 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS3796 |