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isotopic purity
99 atom % 13C
Quality Level
form
solid
optical activity
[α]20/D -40°, c = 2 in chloroform
technique(s)
mass spectrometry (MS): suitable
mp
147-149 °C (lit.)
mass shift
M+2
SMILES string
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4[13CH2][13C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChI
1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1/i17+1,21+1
InChI key
HVYWMOMLDIMFJA-WKKCFSIESA-N
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Packaging
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
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