SpectraBase Compound ID | IV0czFCYiHq |
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InChI | InChI=1S/C52H82O22/c1-21-38(71-42-35(61)30(56)24(53)19-67-42)34(60)37(63)43(69-21)73-40-31(57)25(54)20-68-45(40)74-46(66)52-16-15-47(2,3)17-23(52)22-9-10-27-49(6)13-12-29(70-44-36(62)32(58)33(59)39(72-44)41(64)65)48(4,5)26(49)11-14-50(27,7)51(22,8)18-28(52)55/h9,21,23-40,42-45,53-63H,10-20H2,1-8H3,(H,64,65)/t21-,23?,24-,25-,26?,27?,28+,29-,30+,31-,32-,33-,34-,35-,36+,37+,38-,39-,40+,42+,43-,44+,45-,49-,50+,51+,52+/m0/s1 |
InChIKey | XCOCMBMWEVIXCI-NKQPKLEUSA-N |
Mol Weight | 1059.2 g/mol |
Molecular Formula | C52H82O22 |
Exact Mass | 1058.529774 g/mol |
SpectraBase Spectrum ID | 2QkcAWQ5B9i |
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Name | FOETIDISSIMOSIDE-A;3-O-BETA-[GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2)-ARABINOPYRANOSYL]-ESTER |
Compound Number | 62 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C52H82O22 |
InChI | InChI=1S/C52H82O22/c1-21-38(71-42-35(61)30(56)24(53)19-67-42)34(60)37(63)43(69-21)73-40-31(57)25(54)20-68-45(40)74-46(66)52-16-15-47(2,3)17-23(52)22-9-10-27-49(6)13-12-29(70-44-36(62)32(58)33(59)39(72-44)41(64)65)48(4,5)26(49)11-14-50(27,7)51(22,8)18-28(52)55/h9,21,23-40,42-45,53-63H,10-20H2,1-8H3,(H,64,65)/t21-,23?,24-,25-,26?,27?,28+,29-,30+,31-,32-,33-,34-,35-,36+,37+,38-,39-,40+,42+,43-,44+,45-,49-,50+,51+,52+/m0/s1 |
InChIKey | XCOCMBMWEVIXCI-NKQPKLEUSA-N |
Literature Reference Author | N.TAN,J.ZHOU,S.ZHAO |
Literature Reference Citation | PHYTOCHEM.,52,153(1999) |
Literature Reference DOI | 10.1016/S0031-9422(98)00454-3 |
Molecular Weight | 1059.210 g/mol |
Solvent | C5D5N |
Source File Reference | UWVN1059 |