39025-24-6

Name GUGGULSTERONE E
CAS 39025-24-6
Molecular Formula C21H28O2
MDL Number MFCD01310758
Molecular Weight 312.45
MOL File 39025-24-6.mol
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Chemical Properties

Melting point  170-171.5°
alpha  D26 -30° (c = 1 in chloroform)
Boiling point  463℃
density  1.10
Fp  172℃
storage temp.  2-8°C
solubility  DMSO: soluble5mg/mL
form  powder
color  white to off-white
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-AUKWTSKRSA-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
Storage Class 11 - Combustible Solids
Hazard Classifications Aquatic Chronic 3
STOT SE 3

Hazard Information

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