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About This Item
Empirical Formula (Hill Notation):
C22H25NO6
CAS Number:
Molecular Weight:
399.44
EC Number:
200-598-5
UNSPSC Code:
12352103
MDL number:
Beilstein/REAXYS Number:
2228813
assay
95%
optical activity
[α]24/D −443°, c = 1.7 in H2O
impurities
10% ethyl acetate and chloroform
mp
150-160 °C (dec.) (lit.)
SMILES string
COC1=CC=C2C(=CC1=O)[C@H](CCc3cc(OC)c(OC)c(OC)c23)NC(C)=O
InChI
1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1
InChI key
IAKHMKGGTNLKSZ-INIZCTEOSA-N
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Signal Word
Danger
Hazard Codes
Precautionary Statements
Hazard Classifications
Acute Tox. 2 Oral - Muta. 1B
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
PPE (personal protective equipment)
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
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