![#8A;QUAMOCLINIC-ACID-C;(3S,11S)-IPUROLIC-ACID-11-O-BETA-D-QUINOVOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1->3)-[O-BETA-D-QUINOVOPYRANOSYL-(1->4)]-O-ALPHA-L-R](/api/spectrum/IS8aeChyWhJ/structure.png?h=300&w=458 "#8A;QUAMOCLINIC-ACID-C;(3S,11S)-IPUROLIC-ACID-11-O-BETA-D-QUINOVOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1->3)-[O-BETA-D-QUINOVOPYRANOSYL-(1->4)]-O-ALPHA-L-R")
| SpectraBase Compound ID | Khc88LOvI3v |
|---|---|
| InChI | InChI=1S/C50H88O30/c1-6-12-23(14-11-9-7-8-10-13-22(53)15-26(54)55)73-48-42(34(63)29(58)20(4)71-48)80-50-44(36(65)31(60)25(17-52)75-50)79-47-39(68)41(40(21(5)72-47)76-45-37(66)32(61)27(56)18(2)69-45)77-49-43(35(64)30(59)24(16-51)74-49)78-46-38(67)33(62)28(57)19(3)70-46/h18-25,27-53,56-68H,6-17H2,1-5H3,(H,54,55)/t18-,19+,20-,21+,22+,23+,24+,25-,27-,28+,29+,30+,31-,32+,33-,34+,35-,36+,37-,38+,39-,40+,41+,42-,43+,44-,45+,46-,47+,48+,49-,50+/m1/s1 |
| InChIKey | XYVNPFSOKQESQT-QYNAHBQJSA-N |
| Mol Weight | 1169.2 g/mol |
| Molecular Formula | C50H88O30 |
| Exact Mass | 1168.536041 g/mol |
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| SpectraBase Spectrum ID | IS8aeChyWhJ |
|---|---|
| Name | #8A;QUAMOCLINIC-ACID-C;(3S,11S)-IPUROLIC-ACID-11-O-BETA-D-QUINOVOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1->3)-[O-BETA-D-QUINOVOPYRANOSYL-(1->4)]-O-ALPHA-L-R |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H88O30 |
| InChI | InChI=1S/C50H88O30/c1-6-12-23(14-11-9-7-8-10-13-22(53)15-26(54)55)73-48-42(34(63)29(58)20(4)71-48)80-50-44(36(65)31(60)25(17-52)75-50)79-47-39(68)41(40(21(5)72-47)76-45-37(66)32(61)27(56)18(2)69-45)77-49-43(35(64)30(59)24(16-51)74-49)78-46-38(67)33(62)28(57)19(3)70-46/h18-25,27-53,56-68H,6-17H2,1-5H3,(H,54,55)/t18-,19+,20-,21+,22+,23+,24+,25-,27-,28+,29+,30+,31-,32+,33-,34+,35-,36+,37-,38+,39-,40+,41+,42-,43+,44-,45+,46-,47+,48+,49-,50+/m1/s1 |
| InChIKey | XYVNPFSOKQESQT-QYNAHBQJSA-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 | 1169.231 g/mol |
| Source File Reference | UWBT4061 |