Structure Database (LMSD)

Common Name
aphidicolan-16beta-ol
Systematic Name
Synonyms
  • Aphidicolan-16beta-ol
LM ID
LMPR0104160002
Formula
C20H34O
Exact Mass
Calculate m/z
290.260965
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]
Aphidicolane diterpenoids [PR010416]

String Representations

InChiKey (Click to copy)
ODCPNBCPLWJVQI-XEUIXDHISA-N
InChi (Click to copy)
InChI=1S/C20H34O/c1-17(2)8-5-9-18(3)16(17)7-6-14-12-15-13-20(14,18)11-10-19(15,4)21/h14-16,21H,5-13H2,1-4H3/t14-,15?,16-,18-,19+,20-/m0/s1
SMILES (Click to copy)
[C@@]12(CCCC(C)(C)[C@]1([H])CC[C@@]1([H])C[C@H]3C[C@]21CC[C@]3(O)C)C

Other Databases

KEGG ID
C11890
PubChem CID
443480

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 4
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 313.91
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 5.46
Molar Refractivity 87.48

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Created at
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Updated at
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