2270-40-8

Name DIACETOXYSCIRPENOL
CAS 2270-40-8
EINECS(EC#) 218-873-3
Molecular Formula C19H26O7
MDL Number MFCD00866334
Molecular Weight 366.41
MOL File 2270-40-8.mol
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Chemical Properties

Melting point  162-164℃
Boiling point  407.62°C (rough estimate)
density  1.1821 (rough estimate)
refractive index  1.4790 (estimate)
Fp  2 °C
storage temp.  2-8°C
solubility  DMF: 30 mg/ml; DMF:PBS (pH 7.2) (1:4): 0.2 mg/ml; DMSO: 30 mg/ml; Ethanol: 20 mg/ml
form  A crystalline solid
pka 13.40±0.70(Predicted)
color  Crystals from EtOAc
InChI InChI=1/C19H26O7/c1-10-5-6-18(8-23-11(2)20)13(7-10)26-16-14(22)15(25-12(3)21)17(18,4)19(16)9-24-19/h7,13-16,22H,5-6,8-9H2,1-4H3/t13-,14-,15-,16-,17?,18-,19?/s3
InChIKey AUGQEEXBDZWUJY-UYOBWRNGNA-N
SMILES CC12[C@@H]([C@@H](O)[C@@]([H])(O[C@]3([H])C=C(C)CC[C@]13COC(=O)C)C12OC1)OC(=O)C |&1:2,3,5,8,15,r|

Safety Data

Hazard Codes  T+,T,Xn,F
Risk Statements 
Safety Statements 
RIDADR  UN 3462 6.1/PG 2
WGK Germany  3
RTECS  YD0112000
F  10
HazardClass  6.1(a)
PackingGroup  II
HS Code  29329990
Hazardous Substances Data 2270-40-8(Hazardous Substances Data)
Toxicity
LD50 oral in rat: 7mg/kg

Hazard Information

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