Identification Chemical Properties Hazard Information Supplier

246038-13-1

Name (8S,9R,10S,13S,14S,17R)-17-acetyl-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
CAS 246038-13-1
Molecular Formula C21H28O2
Molecular Weight 312.45
MOL File 246038-13-1.mol
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Chemical Properties

Boiling point  462.8±45.0 °C(Predicted)
density  1.10±0.1 g/cm3(Predicted)
InChI InChI=1/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17-,18-,19+,20+,21+/s3
InChIKey JGMOKGBVKVMRFX-RMYBGKAXNA-N
SMILES C1[C@]2(C)C(C=C[C@]3([H])[C@@]2([H])CC[C@@]2(C)[C@@]3([H])CC[C@H]2C(C)=O)=CC(=O)C1 |&1:1,6,8,12,14,18,r|

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