| SpectraBase Compound ID | HnSTPR6XSMY |
|---|---|
| InChI | InChI=1S/C56H98O34/c1-7-13-25(15-12-10-8-9-11-14-24(59)16-28(60)61)82-54-47(37(70)31(64)21(4)80-54)90-56-49(39(72)34(67)27(18-58)84-56)89-53-43(76)46(44(23(6)81-53)85-50-40(73)35(68)29(62)19(2)77-50)87-55-48(38(71)33(66)26(17-57)83-55)88-52-42(75)45(32(65)22(5)79-52)86-51-41(74)36(69)30(63)20(3)78-51/h19-27,29-59,62-76H,7-18H2,1-6H3,(H,60,61)/t19-,20+,21-,22+,23+,24+,25+,26+,27-,29+,30-,31+,32+,33+,34-,35+,36-,37+,38-,39+,40-,41+,42+,43-,44+,45-,46+,47-,48+,49-,50+,51-,52-,53+,54+,55-,56+/m1/s1 |
| InChIKey | ISJQUCYUYMOIOZ-FDNNIYISSA-N |
| Mol Weight | 1315.4 g/mol |
| Molecular Formula | C56H98O34 |
| Exact Mass | 1314.59395 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6h1zzlfsJuu |
|---|---|
| Name | #10A;QUAMOCLINIC-ACID-E;(3S,11S)-IPUROLIC-ACID-11-O-BETA-D-FUCOPYRANOSYL-(1->3)-O-BETA-D-QUINOVOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1->3)-[O-BETA-D-FUCOP |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H98O34 |
| InChI | InChI=1S/C56H98O34/c1-7-13-25(15-12-10-8-9-11-14-24(59)16-28(60)61)82-54-47(37(70)31(64)21(4)80-54)90-56-49(39(72)34(67)27(18-58)84-56)89-53-43(76)46(44(23(6)81-53)85-50-40(73)35(68)29(62)19(2)77-50)87-55-48(38(71)33(66)26(17-57)83-55)88-52-42(75)45(32(65)22(5)79-52)86-51-41(74)36(69)30(63)20(3)78-51/h19-27,29-59,62-76H,7-18H2,1-6H3,(H,60,61)/t19-,20+,21-,22+,23+,24+,25+,26+,27-,29+,30-,31+,32+,33+,34-,35+,36-,37+,38-,39+,40-,41+,42+,43-,44+,45-,46+,47-,48+,49-,50+,51-,52-,53+,54+,55-,56+/m1/s1 |
| InChIKey | ISJQUCYUYMOIOZ-FDNNIYISSA-N |
| Literature Reference Author | M.ONO,Y.TAKAGI-TAKI,F.HONDA-YAMADA,N.NODA,K.MIYAHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,58,666(2010) |
| Literature Reference DOI | 10.1248/cpb.58.666 |
| Molecular Weight | 1315.374 g/mol |
| Source File Reference | UWBT4063 |