SpectraBase Compound ID | 5DQIGekX4Y0 |
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InChI | InChI=1S/C53H84O22/c1-22-30(56)33(59)36(62)44(69-22)72-39-38(64)40(42(65)66)73-46(41(39)74-43-35(61)31(57)25(55)21-68-43)71-29-12-13-50(6)27(49(29,4)5)11-14-52(8)28(50)10-9-23-24-19-48(2,3)15-17-53(24,18-16-51(23,52)7)47(67)75-45-37(63)34(60)32(58)26(20-54)70-45/h9,22,24-41,43-46,54-64H,10-21H2,1-8H3,(H,65,66)/t22-,24-,25+,26+,27-,28+,29-,30-,31-,32+,33+,34-,35+,36+,37+,38-,39-,40-,41+,43-,44-,45-,46+,50-,51+,52+,53-/m0/s1 |
InChIKey | KJUYGRKBLRHDHL-BDGYRHNBSA-N |
Mol Weight | 1073.2 g/mol |
Molecular Formula | C53H84O22 |
Exact Mass | 1072.545424 g/mol |
SpectraBase Spectrum ID | ss4MumvRt8 |
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Name | 3-O-BETA-D-XYLOPYRANOSYL-(1->2)-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)]-BETA-D-GLUCURONOPYRANOSYL-28-O-BETA-D-GLUCOPYRANOSYL-OLEANOLIC-ACID |
Compound Number | 6 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C53H84O22 |
InChI | InChI=1S/C53H84O22/c1-22-30(56)33(59)36(62)44(69-22)72-39-38(64)40(42(65)66)73-46(41(39)74-43-35(61)31(57)25(55)21-68-43)71-29-12-13-50(6)27(49(29,4)5)11-14-52(8)28(50)10-9-23-24-19-48(2,3)15-17-53(24,18-16-51(23,52)7)47(67)75-45-37(63)34(60)32(58)26(20-54)70-45/h9,22,24-41,43-46,54-64H,10-21H2,1-8H3,(H,65,66)/t22-,24-,25+,26+,27-,28+,29-,30-,31-,32+,33+,34-,35+,36+,37+,38-,39-,40-,41+,43-,44-,45-,46+,50-,51+,52+,53-/m0/s1 |
InChIKey | KJUYGRKBLRHDHL-BDGYRHNBSA-N |
Literature Reference Author | J.KINJO,K.SUYAMA,T.NOHARA |
Literature Reference Citation | PHYTOCHEM.,40,1765(1995) |
Literature Reference DOI | 10.1016/0031-9422(95)00545-I |
Molecular Weight | 1073.237 g/mol |
Solvent | C5D5N |
Source File Reference | UWLU4586 |