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InChI
1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1/i3+1,4+1,6+1,14+1,26+1
InChI key
GMRQFYUYWCNGIN-BAPMHTSSSA-N
SMILES string
C[C@@]12[C@](CC[C@]2([H])[C@H](C)C[13CH2][13CH2][13C](O)([13CH3])[13CH3])([H])/C(CCC1)=C/C=C(C[C@@H](O)C[C@@H]3O)\C3=C
isotopic purity
≥98 atom % 13C
assay
≥95% (CP)
concentration
50 μg/mL in ethanol
mass shift
M+5
Quality Level
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Related Categories
Packaging
signalword
Danger
hcodes
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 2
Storage Class
3 - Flammable liquids
wgk
WGK 1
flash_point_f
55.4 °F - closed cup
flash_point_c
13 °C - closed cup
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