| SpectraBase Compound ID | AYashkVyP9n |
|---|---|
| InChI | InChI=1S/C57H90O27/c1-21-40(79-47-39(71)41(27(61)20-76-47)80-46-36(68)31(63)25(59)18-75-46)35(67)38(70)48(78-21)82-43-32(64)26(60)19-77-50(43)84-51(74)57-14-13-52(2,3)15-23(57)22-9-10-29-54(6)16-24(58)44(83-49-37(69)33(65)34(66)42(81-49)45(72)73)53(4,5)28(54)11-12-55(29,7)56(22,8)17-30(57)62/h9,21,23-44,46-50,58-71H,10-20H2,1-8H3,(H,72,73)/t21-,23-,24-,25-,26-,27-,28-,29+,30+,31+,32-,33-,34-,35-,36-,37+,38+,39-,40-,41+,42-,43+,44-,46+,47+,48-,49-,50-,54-,55+,56+,57+/m0/s1 |
| InChIKey | FQMCSBNLJMQJNU-HFCVHCPCSA-N |
| Mol Weight | 1207.3 g/mol |
| Molecular Formula | C57H90O27 |
| Exact Mass | 1206.566948 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2rZd3Yk4otD |
|---|---|
| Name | #7;LANCEMASIDE-G;3-O-BETA-D-GLUCURONOPYRANOSYL-(2-BETA,3-BETA,16-ALPHA)-TRIHYDROXY-OLEAN-12-EN-28-OIC-ACID-28-O-BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSY |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H90O27 |
| InChI | InChI=1S/C57H90O27/c1-21-40(79-47-39(71)41(27(61)20-76-47)80-46-36(68)31(63)25(59)18-75-46)35(67)38(70)48(78-21)82-43-32(64)26(60)19-77-50(43)84-51(74)57-14-13-52(2,3)15-23(57)22-9-10-29-54(6)16-24(58)44(83-49-37(69)33(65)34(66)42(81-49)45(72)73)53(4,5)28(54)11-12-55(29,7)56(22,8)17-30(57)62/h9,21,23-44,46-50,58-71H,10-20H2,1-8H3,(H,72,73)/t21-,23-,24-,25-,26-,27-,28-,29+,30+,31+,32-,33-,34-,35-,36-,37+,38+,39-,40-,41+,42-,43+,44-,46+,47+,48-,49-,50-,54-,55+,56+,57+/m0/s1 |
| InChIKey | FQMCSBNLJMQJNU-HFCVHCPCSA-N |
| Literature Reference Author | M.USHIJIMA,N.KOMOTO,Y.SUGIZONO,I.MIZUNO,M.SUMIHIRO,M.ICHIKAW A,M.HAYAMA |
| Literature Reference Citation | CHEM.PHARM.BULL.,56,308(2008) |
| Literature Reference DOI | 10.1248/cpb.56.308 |
| Molecular Weight | 1207.325 g/mol |
| Sample ID | 1316 |
| Solvent | C5D5N |