Structure database (LMSD)

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LM IDLMPR0104130002
Common Nameent-kaurene
Systematic Nameent-kaur-16-ene
Synonyms(5β,8α,9β,10α,13α)-kaur-16-ene; ent-Kaur-16-ene; ent-Kaurene; ent-kaur-16-ene
Exact Mass
272.2504 (neutral)    Calculate m/z:
FormulaC20H32
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Kaurane and phyllocladane diterpenoids [PR010413]
PubChem CID11966109
KEGG IDC06090
CHEBI ID15415
InChIKeyONVABDHFQKWOSV-HPUSYDDDSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H32/c1-14-12-20-11-8-16-18(2,3)9-5-10-19(16,4)17(20)7-6-15(14)13-20/h15-17H,1,5-13H2,2-4H3/t15-,16-,17+,19-,20-/m1/s1
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SMILES
C1CCC(C)(C)[C@]2([H])[C@]1(C)[C@@]1([H])[C@]3(C[C@H](C(=C)C3)CC1)CC2
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings4Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
302.48Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP5.98Molar
Refractivity
85.48