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39025-23-5

Name (Z)-Guggulsterone
CAS 39025-23-5
Molecular Formula C21H28O2
MDL Number MFCD01310757
Molecular Weight 312.45
MOL File 39025-23-5.mol

Chemical Properties

Melting point  188-190°
alpha  D26 -61° (c = 1 in chloroform)
Boiling point  463.3±45.0 °C(Predicted)
density  1.10±0.1 g/cm3(Predicted)
storage temp.  2-8°C
solubility  DMSO: 5 mg/mL
form  powder
color  light yellow
Stability: Stable for 2 years from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20°C for up to 3 months.
InChI InChI=1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4+/t15-,17+,18+,20+,21-/m1/s1
InChIKey WDXRGPWQVHZTQJ-OSJVMJFVSA-N
SMILES C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)/C(=C/C)/C(=O)C3)CC2
LogP 3.650 (est)

Safety Data

Hazard Codes  Xi
Risk Statements 
Safety Statements 
WGK Germany  3
HS Code  2914299000

Hazard Information

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