SpectraBase Compound ID | DJ06lcjRCHN |
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InChI | InChI=1S/C58H88O27/c1-22-32(63)41(81-47-37(68)34(65)33(64)29(21-59)80-47)39(70)49(76-22)83-44-43(79-25(4)61)40(78-24(3)60)23(2)77-50(44)85-52(75)58-17-15-53(5,6)19-27(58)26-11-12-30-54(7)20-28(62)45(84-48-38(69)35(66)36(67)42(82-48)46(71)72)57(10,51(73)74)31(54)13-14-56(30,9)55(26,8)16-18-58/h11,22-23,27-45,47-50,59,62-70H,12-21H2,1-10H3,(H,71,72)(H,73,74)/t22-,23?,27?,28-,29+,30?,31?,32-,33+,34-,35-,36-,37+,38+,39+,40-,41+,42-,43-,44+,45-,47-,48-,49-,50-,54+,55+,56+,57-,58-/m0/s1 |
InChIKey | BEESRPAJZAOREY-FKHZPZNJSA-N |
Mol Weight | 1217.3 g/mol |
Molecular Formula | C58H88O27 |
Exact Mass | 1216.551298 g/mol |
SpectraBase Spectrum ID | KHzAJJkqLDH |
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Name | HERNIARIA-SAPONIN-1;3-O-BETA-GLUCURONOPYRANOSYL-MEDICAGENIC-ACID-28-O-[GLUCOPYRANOSYL-(1->3)-RHAMNOPYRANOSYL-(1->2)-(3,4-DIACETYL)-FUCOPYRANOSYL]- |
Compound Number | 87 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C58H88O27 |
InChI | InChI=1S/C58H88O27/c1-22-32(63)41(81-47-37(68)34(65)33(64)29(21-59)80-47)39(70)49(76-22)83-44-43(79-25(4)61)40(78-24(3)60)23(2)77-50(44)85-52(75)58-17-15-53(5,6)19-27(58)26-11-12-30-54(7)20-28(62)45(84-48-38(69)35(66)36(67)42(82-48)46(71)72)57(10,51(73)74)31(54)13-14-56(30,9)55(26,8)16-18-58/h11,22-23,27-45,47-50,59,62-70H,12-21H2,1-10H3,(H,71,72)(H,73,74)/t22-,23?,27?,28-,29+,30?,31?,32-,33+,34-,35-,36-,37+,38+,39+,40-,41+,42-,43-,44+,45-,47-,48-,49-,50-,54+,55+,56+,57-,58-/m0/s1 |
InChIKey | BEESRPAJZAOREY-FKHZPZNJSA-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 | 1217.321 g/mol |
Solvent | Unknown |
Source File Reference | UWVN1154 |