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About This Item
Empirical Formula (Hill Notation):
C5D5N
CAS Number:
Molecular Weight:
84.13
EC Number:
230-720-2
UNSPSC Code:
12142201
PubChem Substance ID:
Beilstein/REAXYS Number:
114377
MDL number:
isotopic purity
99 atom % D
assay
99% (CP)
contains
0.03 % (v/v) TMS
refractive index
n20/D 1.506 (lit.)
bp
114.4 °C (lit.)
density
1.05 g/mL at 25 °C (lit.)
mass shift
M+5
SMILES string
[2H]c1nc([2H])c([2H])c([2H])c1[2H]
InChI
1S/C5H5N/c1-2-4-6-5-3-1/h1-5H/i1D,2D,3D,4D,5D
InChI key
JUJWROOIHBZHMG-RALIUCGRSA-N
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signalword
Danger
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2
Storage Class
3 - Flammable liquids
wgk
WGK 3
flash_point_f
62.6 °F
flash_point_c
17 °C
Regulatory Information
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Xu Pang et al.
Steroids, 93, 68-76 (2014-12-03)
For the first time, a systematic phytochemical study was performed on the roots of Marsdenia tenacissima. Finally, sixteen new polyoxypregnane glycosides, marstenacissides A1-A7 (1-7) and marstenacissides B1-B9 (8-16), were isolated from M. tenacissima roots. The structures of these new compounds
Xu Pang et al.
Carbohydrate research, 402, 236-240 (2014-12-17)
Five new steroidal saponins (1-5) were isolated from the fermentation broth of total furostanol glycosides from tubers of Dioscorea zingiberensis C.H. Wright incubated with a fungal, Absidia coerulea AS 3.3389, along with known saponins, zingiberensis new saponin (6), deltonin (7)
Indra Prakash et al.
Natural product communications, 9(8), 1135-1138 (2014-09-23)
We report the isolation and complete structure of an isomer of rebaudioside D, known as rebaudioside D2. This novel steviol glycoside was isolated from a bioconversion reaction of rebaudioside A to rebaudioside D. Rebaudioside D2 possesses a relatively rare 1

