| SpectraBase Compound ID | 2ITlzRiV7Ec |
|---|---|
| InChI | InChI=1S/C57H90O29/c1-21-37(81-45-36(71)38(27(63)17-77-45)82-49-42(72)56(76,19-59)20-79-49)33(68)35(70)46(80-21)84-40-30(65)26(62)16-78-48(40)86-50(75)57-11-10-51(2,3)12-23(57)22-8-9-28-52(4)13-25(61)43(85-47-34(69)31(66)32(67)39(83-47)44(73)74)53(5,18-58)41(52)24(60)14-55(28,7)54(22,6)15-29(57)64/h8,21,23-43,45-49,58-72,76H,9-20H2,1-7H3,(H,73,74)/t21-,23?,24+,25-,26-,27-,28?,29+,30-,31-,32-,33-,34+,35+,36-,37-,38+,39-,40+,41?,42+,43-,45+,46-,47-,48-,49+,52+,53-,54+,55+,56-,57+/m0/s1 |
| InChIKey | BURVLOHDYXSEEN-FQRQKWIKSA-N |
| Mol Weight | 1239.3 g/mol |
| Molecular Formula | C57H90O29 |
| Exact Mass | 1238.556777 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AuGWl3kns5E |
|---|---|
| Name | BUTYROSIDE-D;3-O-BETA-GLUCURONOPYRANOSYL-16-ALPHA-HYDROXY-PROTOBASSIC-ACID-28-O-[APIOFURANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2) |
| Compound Number | 111 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H90O29 |
| InChI | InChI=1S/C57H90O29/c1-21-37(81-45-36(71)38(27(63)17-77-45)82-49-42(72)56(76,19-59)20-79-49)33(68)35(70)46(80-21)84-40-30(65)26(62)16-78-48(40)86-50(75)57-11-10-51(2,3)12-23(57)22-8-9-28-52(4)13-25(61)43(85-47-34(69)31(66)32(67)39(83-47)44(73)74)53(5,18-58)41(52)24(60)14-55(28,7)54(22,6)15-29(57)64/h8,21,23-43,45-49,58-72,76H,9-20H2,1-7H3,(H,73,74)/t21-,23?,24+,25-,26-,27-,28?,29+,30-,31-,32-,33-,34+,35+,36-,37-,38+,39-,40+,41?,42+,43-,45+,46-,47-,48-,49+,52+,53-,54+,55+,56-,57+/m0/s1 |
| InChIKey | BURVLOHDYXSEEN-FQRQKWIKSA-N |
| Literature Reference Author | N.TAN,J.ZHOU,S.ZHAO |
| Literature Reference Citation | PHYTOCHEM.,52,153(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00454-3 |
| Molecular Weight | 1239.324 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1285 |