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About This Item
Empirical Formula (Hill Notation):
C28D6H38O2
CAS Number:
Molecular Weight:
418.68
UNSPSC Code:
12352106
NACRES:
NA.13
MDL number:
Isotopic purity:
≥98 atom % D
Assay:
≥95% (CP)
Mass shift:
M+6
isotopic purity
≥98 atom % D
Quality Segment
assay
≥95% (CP)
mass shift
M+6
SMILES string
C[C@@]12[C@](CC[C@]2([H])[C@H](C)/C=C/[C@H](C)C(C([2H])([2H])[2H])(C([2H])([2H])[2H])O)([H])/C(CCC1)=C/C=C(C[C@@H](O)CC3)\C3=C
InChI
1S/C28H44O2/c1-19-10-14-24(29)18-23(19)13-12-22-8-7-17-28(6)25(15-16-26(22)28)20(2)9-11-21(3)27(4,5)30/h9,11-13,20-21,24-26,29-30H,1,7-8,10,14-18H2,2-6H3/b11-9+,22-12+,23-13-/t20-,21+,24+,25-,26+,28-/m1/s1/i4D3,5D3
InChI key
KJKIIUAXZGLUND-SGQRFKNGSA-N
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 2 Inhalation - Acute Tox. 3 Dermal - Acute Tox. 3 Oral - STOT RE 1 Oral
Storage Class
6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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