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120001-10-7 cryptoporic acid e

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Product Name cryptoporic acid E
CAS No. 120001-10-7
Synonyms Cryptoporic acid E; CCRIS 6990; 1,2,3-Propanetricarboxylic acid, 1-((5-((2-(carboxymethyl)-3-((decahydro-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl)methoxy)-4-methoxy-1,4-dioxobutoxy)methyl)decahydro-5,8a-dimethyl-2-methylene-1-naphthalenyl)methoxy)-, 1,2-dimethyl ester, (1S-(1alpha(1S*,2R*),4abeta,5beta(2R*,3S*(1R*,4aS*,5S*,8aR*)),8aalpha))-; (3S,4R)-3-({[(1R,4aS,5S,8aR)-5-({[(2R,3S)-3-(carboxymethyl)-1,4-dimethoxy-1,4-dioxobutan-2-yl]oxy}methyl)-1,4a-dimethyl-6-methylidenedecahydronaphthalen-1-yl]methoxy}carbonyl)-4-{[(1S,4aR,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidenedecahydronaphthalen-1-yl]methoxy}-5-methoxy-5-oxopentanoic acid (non-preferred name)
InChI InChI=1/C45H68O15/c1-26-12-14-32-42(3,24-46)16-10-18-44(32,5)30(26)22-59-37(41(54)57-9)29(21-35(49)50)39(52)60-25-43(4)17-11-19-45(6)31(27(2)13-15-33(43)45)23-58-36(40(53)56-8)28(20-34(47)48)38(51)55-7/h28-33,36-37,46H,1-2,10-25H2,3-9H3,(H,47,48)(H,49,50)/t28-,29-,30-,31-,32-,33-,36+,37+,42-,43-,44+,45+/m0/s1
Molecular Formula C45H68O15
Molecular Weight 849.0124
Density 1.23g/cm3
Boiling point 860.6°C at 760 mmHg
Flash point 242.6°C
Refractive index 1.542