Structure Database (LMSD)

Common Name
fusicocca-2,10(14)-diene
Systematic Name
Synonyms
LM ID
LMPR0104350003
Formula
C20H32
Exact Mass
Calculate m/z
272.2504
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C20 isoprenoids (diterpenes) [PR0104]
Fusicoccane diterpenoids [PR010435]

String Representations

InChiKey (Click to copy)
PZSFDLBSQBBRAM-GZRFBZBPSA-N
InChi (Click to copy)
InChI=1S/C20H32/c1-13(2)16-10-11-20(5)12-18-15(4)6-8-17(18)14(3)7-9-19(16)20/h13-14,17H,6-12H2,1-5H3/t14-,17-,20+/m0/s1
SMILES (Click to copy)
C1[C@H](C)[C@]2([H])CCC(C)=C2C[C@]2(C)C(=C(C(C)C)CC2)C1

Other Databases

KEGG ID
C18229
CHEBI ID
52463
PubChem CID
10659816

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 6.29
Molar Refractivity 87.64

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Created at
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Updated at
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