Structure Database (LMSD)
Common Name
ent-cassa-12,15-diene
Systematic Name
5β,8α,9β,10α,14β-13-ethenyl-14-methylpodocarp-12-ene
Synonyms
- 5beta,8alpha,9beta,10alpha,14beta-14-methyl-13-vinylpodocarp-12-ene
No other lipid differing only in stereochemistry/bond geometry found
3D model of ent-cassa-12,15-diene
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
Level 4 Class
String Representations
InChiKey (Click to copy)
JQPDOKGAOXSRJD-SVEODPQUSA-N
InChi (Click to copy)
InChI=1S/C20H32/c1-6-15-8-10-17-16(14(15)2)9-11-18-19(3,4)12-7-13-20(17,18)5/h6,8,14,16-18H,1,7,9-13H2,2-5H3/t14-,16-,17-,18-,20+/m1/s1
SMILES (Click to copy)
C1[C@]2([C@]3([C@@]([H])([C@H](C)C(C=C)=CC3)CC[C@@]2(C(C)(C)CC1)[H])[H])C
References
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
3
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
312.20
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
logP
6.00
Molar Refractivity
87.50
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Created at
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Updated at
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