Structure database (LMSD)

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LM IDLMPR0104480002
Common Name(-)-4,10(20),14-Bifloratriene
Systematic Name-
Synonyms-
Exact Mass
272.2504 (neutral)    Calculate m/z:
FormulaC20H32
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Serrulatane and biflorane diterpenoids [PR010448]
PubChem CID42608263
InChIKeyJMUSJUUKPWCCDS-NBYUQASBSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H32/c1-14(2)7-6-8-16(4)19-12-10-17(5)18-11-9-15(3)13-20(18)19/h7,13,
16,18-20H,5-6,8-12H2,1-4H3/t16-,18+,19+,20-/m0/s1
SMILESC1C(=C)[C@@]2([H])CCC(C)=C[C@]2([H])[C@@]([H])([C@@H](C)CC/C=C(\C)/C)C1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings2Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume
321.92Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP6.31Molar
Refractivity
89.66