Structure Database (LMSD)

Common Name
(-)-Abietadiene
Systematic Name
Synonyms
LM ID
LMPR0104050002
Formula
C20H32
Exact Mass
Calculate m/z
272.2504
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C20 isoprenoids (diterpenes) [PR0104]
Abietane diterpenoids [PR010405]

String Representations

InChiKey (Click to copy)
BBPXZLJCPUPNGH-CMKODMSKSA-N
InChi (Click to copy)
InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18-,20+/m0/s1
SMILES (Click to copy)
C1(CC[C@@]2([H])C(=CC[C@@]3([H])C(C)(C)CCC[C@@]32C)C=1)C(C)C

Other Databases

KEGG ID
C11878
CHEBI ID
30232
PubChem CID
443470

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 6.14
Molar Refractivity 87.57

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Updated at
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