
 CHEMBL2063139

 69 71  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL2063139

>  <PubChem CID>
70686516

>  <Formula>
C27H42

>  <Molecular Weight>
366.633000

>  <IUPAC Name>
(1R,3aS,4E,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-4-[(2Z)-2-(6-methylidenecyclohex-2-en-1-ylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-indene

>  <XlogP>
9.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
0

>  <Canonical SMILES>
CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3C=CCCC3=C)C

>  <Isomeric SMILES>
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C=CCCC3=C)C

>  <InChI Std. ID>
InChI=1S/C27H42/c1-20(2)10-8-12-22(4)25-17-18-26-24(14-9-19-27(25,26)5)16-15-23-13-7-6-11-21(23)3/h7,13,15-16,20,22,25-26H,3,6,8-12,14,17-19H2,1-2,4-5H3/b23-15-,24-16+/t22-,25-,26+,27-/m1/s1

>  <InChI Key>
CALMDOIPRFJZMC-VDVRBEGSSA-N

