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22350-41-0

Name (1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
CAS 22350-41-0
Molecular Formula C27H44O
MDL Number MFCD00078131
Molecular Weight 384.64
MOL File 22350-41-0.mol

Chemical Properties

Boiling point  496.4±24.0 °C(Predicted)
density  0.96±0.1 g/cm3(Predicted)
storage temp.  -65 to -96°C
solubility  DMF: 25 mg/ml,DMSO: 3 mg/ml,Ethanol: 30 mg/ml
form  A crystalline solid
pka 14.74±0.20(Predicted)
color  White to light yellow
Stability: Light Sensitive, Temperature Sensitive
InChI InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13+/t21-,24+,25-,26+,27-/m1/s1
InChIKey QYSXJUFSXHHAJI-FVUVGDFOSA-N
SMILES [C@H]1(O)CCC(=C)/C(=C/C=C2\CCC[C@@]3(C)[C@@]\2([H])CC[C@@H]3[C@H](C)CCCC(C)C)/C1

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