SpectraBase Compound ID | 2BCMlMIKTYB |
---|---|
InChI | InChI=1S/C82H134O38/c1-13-81(11,119-79-71(62(98)56(92)49(34-85)112-79)117-76-66(102)59(95)54(90)47(32-83)110-76)28-18-26-39(4)21-15-20-38(3)23-17-25-42(7)36-106-75-68(104)64(100)69(51(114-75)37-107-74-65(101)58(94)52(88)44(9)108-74)116-78-70(61(97)53(89)45(10)109-78)115-73(105)43(8)31-46(87)30-41(6)24-16-22-40(5)27-19-29-82(12,14-2)120-80-72(63(99)57(93)50(35-86)113-80)118-77-67(103)60(96)55(91)48(33-84)111-77/h13-14,20,24-27,31,44-72,74-80,83-104H,1-2,15-19,21-23,28-30,32-37H2,3-12H3/b38-20+,39-26+,40-27+,41-24+,42-25+,43-31+/t44-,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-,70+,71+,72+,74+,75-,76-,77-,78-,79-,80-,81+,82+/m0/s1 |
InChIKey | RQTJTAXXBXPNGE-RBPPIQDWSA-N |
Mol Weight | 1727.9 g/mol |
Molecular Formula | C82H134O38 |
Exact Mass | 1726.85531 g/mol |
Enantiomer InChIKey | RQTJTAXXBXPNGE-JCCPTFTBSA-N |
Title | Journal or Book | Year |
---|---|---|
Acyclic Diterpene Glycosides, Capsianosides C, D, E, F and III, from the Fruits of Hot Red Pepper Capsicum annuum L. Used in Kimchi and Their Revised Structures | Chemical and Pharmaceutical Bulletin | 2007 |
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