Structure Database (LMSD)

Common Name
Taxa-4(5),11(12)-diene
Systematic Name
Synonyms
LM ID
LMPR0104390002
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]
Taxane and Abeotaxane diterpenoids [PR010439]

String Representations

InChiKey (Click to copy)
FRJSECSOXKQMOD-HQRMLTQVSA-N
InChi (Click to copy)
InChI=1S/C20H32/c1-14-7-6-11-20(5)12-10-17-15(2)8-9-16(13-18(14)20)19(17,3)4/h7,16,18H,6,8-13H2,1-5H3/t16-,18+,20-/m0/s1
SMILES (Click to copy)
[C@@]12(C[C@]3([H])CCC(C)=C(CC[C@]1(C)CCC=C2C)C3(C)C)[H]

Other Databases

KEGG ID
C11894
CHEBI ID
30037
PubChem CID
443484

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 3
Aromatic Rings 0
Rotatable Bonds 0
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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