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About This Item

Empirical Formula (Hill Notation):
C21D5H29O2
Molecular Weight:
323.52
EC Number:
UNSPSC Code:
12352211
PubChem Substance ID:
NACRES:
NA.12
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isotopic purity

≥98 atom % D

Quality Level

Assay

≥98% (CP)

form

solution

concentration

100 μg/mL in methanol

technique(s)

mass spectrometry (MS): suitable

mass shift

M+5

storage temp.

−20°C

SMILES string

C[C@@]12[C@](CCC3C2CC[C@@]4(C)C3CCC4C(C)=O)([H])C([2H])([2H])[C@@](O)([2H])C([2H])([2H])C1

InChI

1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16?,17?,18?,19?,20-,21+/m0/s1/i8D2,12D2,15D

InChI key

AURFZBICLPNKBZ-DXLOLUHISA-N

Related Categories

Signal Word

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Flam. Liq. 2 - STOT SE 1

Target Organs

Eyes

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

49.5 °F

Flash Point(C)

9.7 °C


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