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#2;CRYPTOPHILIC_ACID_B;(+)-(3S,12S)-3,12-DIHYDROXYPALMITIC-ACID_12-O-[4-O-ISOVALEROYL-ALPHA-RHAMNOPYRANOSYL-(1->2)-O-BETA-GLUCOPYRANOSYL-(1->2)-O-[ALPHA-RHAMN
SpectraBase Compound ID 9hu6qLFPJjf
InChI InChI=1S/C45H80O23/c1-6-7-15-25(16-13-11-9-8-10-12-14-24(47)18-28(48)49)63-44-40(35(56)32(53)27(65-44)20-60-42-37(58)33(54)30(51)22(4)61-42)68-45-41(34(55)31(52)26(19-46)64-45)67-43-38(59)36(57)39(23(5)62-43)66-29(50)17-21(2)3/h21-27,30-47,51-59H,6-20H2,1-5H3,(H,48,49)/t22-,23-,24-,25-,26+,27+,30-,31+,32+,33+,34-,35-,36-,37+,38+,39-,40+,41+,42+,43-,44+,45-/m0/s1
InChIKey CCZKCJQUMXQWRA-WFSZRHFWSA-N
Mol Weight 989.1 g/mol
Molecular Formula C45H80O23
Exact Mass 988.509039 g/mol
Enantiomer InChIKey CCZKCJQUMXQWRA-JQTUNQQGSA-N
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Solvent CD3OD
Title Journal or Book Year
Crypthophilic Acids A, B, and C:  Resin Glycosides from Aerial Parts of Scrophularia crypthophila Journal of Natural Products 2007
Unknown Identification

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