Structure Database (LMSD)

Common Name
(-)-Amijiol
Systematic Name
(-)-1(15),8-dolastadiene-4β,14β-diol
Synonyms
LM ID
LMPR0104250001
Formula
C20H32O2
Exact Mass
Calculate m/z
304.24023
Status
Curated
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]
Dolastane and modified dolastane diterpenoids [PR010425]

String Representations

InChiKey (Click to copy)
ZHDYUIWBYAYXJQ-WTGUMLROSA-N
InChi (Click to copy)
InChI=1S/C20H32O2/c1-13(2)15-8-10-18(4)12-20(22)14(3)6-7-17(21)19(20,5)11-9-16(15)18/h13,17,21-22H,3,6-12H2,1-2,4-5H3/t17-,18-,19-,20+/m1/s1
SMILES (Click to copy)
[C@@]12(C)C[C@]3(O)C(=C)C([H])C[C@@H](O)[C@@]3(C)CCC1=C(C(C)C)CC2

Other Databases

CHEBI ID
193274
PubChem CID
14890520

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 3
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 329.78
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 4.94
Molar Refractivity 91.52

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Updated at
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