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About This Item
Empirical Formula (Hill Notation):
C21D4H24O5
Molecular Weight:
364.47
UNSPSC Code:
12352211
PubChem Substance ID:
NACRES:
NA.12
Isotopic purity:
≥98 atom % D
Assay:
≥97% (CP)
Mass shift:
M+4
Form:
liquid
isotopic purity
≥98 atom % D
Quality Segment
assay
≥97% (CP)
form
liquid
concentration
100 μg/mL in acetonitrile
technique(s)
mass spectrometry (MS): suitable
mass shift
M+4
shipped in
dry ice
storage temp.
−20°C
SMILES string
O=C1CC[C@@]2(C)C(CCC3[C@]2([2H])[C@@]([2H])(O[C@@H]4O)C([2H])([2H])[C@@]54C3CC[C@@H]5C(CO)=O)=C1
InChI
1S/C21H28O5/c1-20-7-6-12(23)8-11(20)2-3-13-14-4-5-15(16(24)10-22)21(14)9-17(18(13)20)26-19(21)25/h8,13-15,17-19,22,25H,2-7,9-10H2,1H3/t13?,14?,15-,17+,18-,19?,20+,21-/m1/s1/i9D2,17D,18D
InChI key
QUQBHBRVKLEOEI-SYXUCPCUSA-N
Application
This product may be used as an analytical standard.
Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact
Stable Isotopes Customer Service.
Stable Isotopes Customer Service.
1 mL in ampule
Signal Word
Danger
Hazard Codes
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 2
Storage Class
3 - Flammable liquids
WGK
WGK 2
Flash Point (°F)
35.6 °F
Flash Point (°C)
2 °C
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