SpectraBase Compound ID | HIDzO3h1Tgc |
---|---|
InChI | InChI=1S/C85H140O40/c1-38-64(121-72-60(103)55(98)48(34-113-72)119-77-68(107)84(110,36-89)37-114-77)58(101)63(106)73(115-38)123-67-66(122-74-61(104)56(99)53(96)46(31-87)117-74)65(120-70(108)43(91)20-16-12-11-15-19-40(90)18-14-10-9-13-17-27-86)39(2)116-76(67)125-78(109)85-26-25-79(3,4)28-42(85)41-21-22-50-80(5)29-44(92)69(81(6,35-88)49(80)23-24-82(50,7)83(41,8)30-51(85)94)124-75-62(105)57(100)54(97)47(118-75)33-112-71-59(102)52(95)45(93)32-111-71/h21,38-39,42-69,71-77,86-89,91-107,110H,9-20,22-37H2,1-8H3/t38-,39+,42-,43?,44-,45-,46-,47+,48-,49+,50+,51+,52-,53-,54+,55+,56+,57-,58-,59+,60-,61-,62+,63+,64-,65-,66-,67+,68+,69-,71-,72+,73-,74+,75-,76-,77+,80-,81-,82+,83+,84-,85+/m0/s1 |
InChIKey | NNJKQUGDVSCHSW-GUUBJNDWSA-N |
Mol Weight | 1802.0 g/mol |
Molecular Formula | C85H140O40 |
Exact Mass | 1800.892089 g/mol |
Enantiomer InChIKey | NNJKQUGDVSCHSW-VTLDXUAFSA-N |
Title | Journal or Book | Year |
---|---|---|
Acylated saponins, masonosides A–C, from the corms of Crocosmia masoniorum | Phytochemistry | 1994 |
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