Structure Database (LMSD)
Common Name
3beta-hydroxy-9beta-pimara-7,15-dien-19,6beta-olide
Systematic Name
3β-hydroxy-6β,18-epoxy-9β-pimara-7,15-dien-18-one
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 3beta-hydroxy-9beta-pimara-7,15-dien-19,6beta-olide
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Level 4 Class
String Representations
InChiKey (Click to copy)
SPZLJXUKZRAIQP-KSYFULEYSA-N
InChi (Click to copy)
InChI=1S/C20H28O3/c1-5-18(2)8-6-13-12(11-18)10-14-16-19(13,3)9-7-15(21)20(16,4)17(22)23-14/h5,10,13-16,21H,1,6-9,11H2,2-4H3/t13-,14-,15+,16-,18-,19-,20+/m1/s1
SMILES (Click to copy)
C1C[C@H](O)[C@@]2(C(=O)O[C@@]3([H])[C@]2([H])[C@@]1(C)[C@@]1([H])C(C[C@](C)(C=C)CC1)=C3)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
4
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
323.57
Topological Polar Surface Area
48.60
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
4.20
Molar Refractivity
89.58
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Created at
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Updated at
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