SpectraBase Compound ID | HMPWCbcrzbr |
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InChI | InChI=1S/C62H96O31/c1-22-32(67)44(88-50-39(74)35(70)33(68)28(20-63)86-50)42(77)53(83-22)91-47-46(90-51-40(75)36(71)34(69)29(21-64)87-51)43(85-24(3)65)23(2)84-54(47)93-56(82)62-16-14-57(4,5)18-26(62)25-10-11-30-58(6)19-27(66)48(92-52-41(76)37(72)38(73)45(89-52)49(78)79)61(9,55(80)81)31(58)12-13-60(30,8)59(25,7)15-17-62/h10,22-23,26-48,50-54,63-64,66-77H,11-21H2,1-9H3,(H,78,79)(H,80,81)/t22-,23+,26?,27-,28+,29+,30?,31?,32-,33+,34+,35-,36-,37-,38-,39+,40+,41+,42+,43-,44+,45-,46-,47+,48-,50-,51-,52-,53-,54-,58+,59+,60+,61-,62-/m0/s1 |
InChIKey | UJWCQKVQESVVNY-GVSDFEEOSA-N |
Mol Weight | 1337.4 g/mol |
Molecular Formula | C62H96O31 |
Exact Mass | 1336.593556 g/mol |
SpectraBase Spectrum ID | 33TxZzYlPsd |
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Name | HERNIARIA-SAPONIN-3;3-O-BETA-GLUCURONOPYRANOSYL-MEDICAGENIC-ACID-28-O-[GLUCOPYRANOSYL-(1->3)-RHAMNOPYRANOSYL-(1->2)-[GLUCOPYRANOSYL-(1->3)]-(4-ACE |
Compound Number | 88 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C62H96O31 |
InChI | InChI=1S/C62H96O31/c1-22-32(67)44(88-50-39(74)35(70)33(68)28(20-63)86-50)42(77)53(83-22)91-47-46(90-51-40(75)36(71)34(69)29(21-64)87-51)43(85-24(3)65)23(2)84-54(47)93-56(82)62-16-14-57(4,5)18-26(62)25-10-11-30-58(6)19-27(66)48(92-52-41(76)37(72)38(73)45(89-52)49(78)79)61(9,55(80)81)31(58)12-13-60(30,8)59(25,7)15-17-62/h10,22-23,26-48,50-54,63-64,66-77H,11-21H2,1-9H3,(H,78,79)(H,80,81)/t22-,23+,26?,27-,28+,29+,30?,31?,32-,33+,34+,35-,36-,37-,38-,39+,40+,41+,42+,43-,44+,45-,46-,47+,48-,50-,51-,52-,53-,54-,58+,59+,60+,61-,62-/m0/s1 |
InChIKey | UJWCQKVQESVVNY-GVSDFEEOSA-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 | 1337.426 g/mol |
Solvent | Unknown |
Source File Reference | UWVN1155 |