| SpectraBase Compound ID | Ka2uSJqwASm |
|---|---|
| InChI | InChI=1S/C53H84O21/c1-10-23(2)44(67)71-32-19-48(3,4)17-25-24-11-12-29-50(7)15-14-31(72-47-40(64)41(39(63)42(74-47)43(65)66)73-46-38(62)36(60)34(58)27(21-55)70-46)49(5,6)28(50)13-16-51(29,8)52(24,9)18-30(56)53(25,32)22-68-45-37(61)35(59)33(57)26(20-54)69-45/h10-11,25-42,45-47,54-64H,12-22H2,1-9H3,(H,65,66)/b23-10+/t25-,26-,27+,28?,29?,30-,31-,32-,33-,34+,35+,36-,37-,38+,39-,40+,41-,42-,45-,46-,47+,50-,51+,52+,53-/m0/s1 |
| InChIKey | IDHZOQWGJSOFLR-MNTQMGPFSA-N |
| Mol Weight | 1057.2 g/mol |
| Molecular Formula | C53H84O21 |
| Exact Mass | 1056.55051 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Ly9U6Eikmr |
|---|---|
| Name | ALTERNOSIDE-XIV;22-O-TIGLOYL-3-O-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCURONOPYRANOSYL-28-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H84O21 |
| InChI | InChI=1S/C53H84O21/c1-10-23(2)44(67)71-32-19-48(3,4)17-25-24-11-12-29-50(7)15-14-31(72-47-40(64)41(39(63)42(74-47)43(65)66)73-46-38(62)36(60)34(58)27(21-55)70-46)49(5,6)28(50)13-16-51(29,8)52(24,9)18-30(56)53(25,32)22-68-45-37(61)35(59)33(57)26(20-54)69-45/h10-11,25-42,45-47,54-64H,12-22H2,1-9H3,(H,65,66)/b23-10+/t25-,26-,27+,28?,29?,30-,31-,32-,33-,34+,35+,36-,37-,38+,39-,40+,41-,42-,45-,46-,47+,50-,51+,52+,53-/m0/s1 |
| InChIKey | IDHZOQWGJSOFLR-MNTQMGPFSA-N |
| Literature Reference Author | K.YOSHIKAWA,K.TAKAHASHI,K.MATSUCHIKA,S.ARIHARA,H.C.CHANG,J.D .WANG |
| Literature Reference Citation | CHEM.PHARM.BULL.,47,1598(1999) |
| Literature Reference DOI | 10.1248/cpb.47.1598 |
| Molecular Weight | 1057.237 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU8391 |