Structure database (LMSD)

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LM IDLMPR0104120001
Common Nameent-cassa-12,15-diene
Systematic Name5β,8α,9β,10α,14β-13-ethenyl-14-methylpodocarp-12-ene
Synonyms5β,8α,9β,10α,14β-14-methyl-13-vinylpodocarp-12-ene
Exact Mass
272.2504 (neutral)    Calculate m/z:
FormulaC20H32
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Podocarpane diterpenoids [PR010412]
PubChem CID11471283
CHEBI ID50060
InChIKeyJQPDOKGAOXSRJD-SVEODPQUSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=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
SMILESC1[C@]2([C@]3([C@@]([H])([C@H](C)C(C=C)=CC3)CC[C@@]2(C(C)(C)CC1)[H])[H])C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings3Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
312.20Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP6.00Molar
Refractivity
87.50