| SpectraBase Compound ID | AV1VyfgFO8R |
|---|---|
| InChI | InChI=1S/C58H92O27/c1-22-42(81-47-38(69)32(63)25(60)20-76-47)37(68)41(72)48(78-22)84-45-43(82-49-39(70)34(65)33(64)27(19-59)79-49)26(61)21-77-51(45)85-52(75)58-16-15-53(2,3)17-24(58)23-9-10-29-55(6)13-12-31(80-50-40(71)35(66)36(67)44(83-50)46(73)74)54(4,5)28(55)11-14-56(29,7)57(23,8)18-30(58)62/h9,22,24-45,47-51,59-72H,10-21H2,1-8H3,(H,73,74)/t22-,24-,25-,26-,27-,28-,29+,30+,31-,32+,33-,34+,35-,36-,37-,38-,39-,40+,41+,42-,43-,44-,45+,47+,48-,49+,50+,51-,55-,56+,57+,58+/m0/s1 |
| InChIKey | BXHKXAJRNKNUAU-UUJUAXKMSA-N |
| Mol Weight | 1221.3 g/mol |
| Molecular Formula | C58H92O27 |
| Exact Mass | 1220.582598 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9c2RhFwUFgw |
|---|---|
| Name | #3;LANCEMASIDE-C;3-O-BETA-D-GLUCURONOPYRANOSYL-(3-BETA,16-ALPHA)-DIHYDROXY-OLEAN-12-EN-28-OIC-ACID-28-O-BETA-D-XYLOPYRANOSYL-(1->4)-ALPHA-L-RHAMNOPYRANOSYL-(1- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H92O27 |
| InChI | InChI=1S/C58H92O27/c1-22-42(81-47-38(69)32(63)25(60)20-76-47)37(68)41(72)48(78-22)84-45-43(82-49-39(70)34(65)33(64)27(19-59)79-49)26(61)21-77-51(45)85-52(75)58-16-15-53(2,3)17-24(58)23-9-10-29-55(6)13-12-31(80-50-40(71)35(66)36(67)44(83-50)46(73)74)54(4,5)28(55)11-14-56(29,7)57(23,8)18-30(58)62/h9,22,24-45,47-51,59-72H,10-21H2,1-8H3,(H,73,74)/t22-,24-,25-,26-,27-,28-,29+,30+,31-,32+,33-,34+,35-,36-,37-,38-,39-,40+,41+,42-,43-,44-,45+,47+,48-,49+,50+,51-,55-,56+,57+,58+/m0/s1 |
| InChIKey | BXHKXAJRNKNUAU-UUJUAXKMSA-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 | 1221.352 g/mol |
| Sample ID | 1311 |
| Solvent | C5D5N |