Structure Database (LMSD)

Common Name
(+)-Tormesol
Systematic Name
(+)-3,17-sphenolobadiene-13-ol
Synonyms
LM ID
LMPR0104530001
Status
Active
Exact Mass
Calculate m/z
290.260965
Formula
C20H34O
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C20 isoprenoids (diterpenes) [PR0104]
Sphenolobane diterpenoids [PR010453]

String Representations

InChiKey (Click to copy)
ZNHQIGBFRDTHDN-YRPNKDGESA-N
InChi (Click to copy)
InChI=1S/C20H34O/c1-15(2)7-6-12-20(5,21)18-11-14-19(4)13-10-16(3)8-9-17(18)19/h10,17-18,21H,1,6-9,11-14H2,2-5H3/t17-,18+,19-,20-/m0/s1
SMILES (Click to copy)
[C@@]12([H])CCC(C)=CC[C@@]1(C)CC[C@H]2[C@@](C)(O)CCCC(=C)C

References

Other Databases

PubChem CID
42608268

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 2
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 333.35
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 5.93
Molar Refractivity 91.73

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Created at
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Updated at
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