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About This Item
Empirical Formula (Hill Notation):
C21D5H27O5
Molecular Weight:
369.51
MDL number:
UNSPSC Code:
12352211
PubChem Substance ID:
EC Number:
200-659-6
NACRES:
NA.12
Isotopic purity:
≥98 atom % D
Assay:
≥98% (CP)
Mass shift:
M+5
Form:
liquid
isotopic purity
≥98 atom % D
Quality Level
assay
≥98% (CP)
form
liquid
concentration
100 μg/mL in methanol
technique(s)
mass spectrometry (MS): suitable
mass shift
M+5
storage temp.
−20°C
SMILES string
OCC([C@@]1(O)CCC([C@]1(C)C2)C3CC[C@]4([H])C([2H])([2H])[C@]([2H])(O)C([2H])([2H])C[C@]4(C)C3C2=O)=O
InChI
1S/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-15,18,22-23,26H,3-11H2,1-2H3/t12-,13-,14?,15?,18?,19+,20+,21+/m1/s1/i5D2,9D2,13D
InChI key
SYGWGHVTLUBCEM-GDDQKZIGSA-N
signalword
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
3 - Flammable liquids
wgk
WGK 2
flash_point_f
49.5 °F
flash_point_c
9.7 °C
Regulatory Information
危险化学品
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Global Trade Item Number
| SKU | GTIN |
|---|---|
| 809276-1ML | 04061838091895 |


