Structure Database (LMSD)

Common Name
(-)-Leucothol C
Systematic Name
Synonyms
LM ID
LMPR0104180004
Formula
C20H30O4
Exact Mass
Calculate m/z
334.21441
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]
Leucothol and grayanotoxane diterpenoids [PR010418]

String Representations

InChiKey (Click to copy)
RPVINCFOPQZXJM-UIVPEWPISA-N
InChi (Click to copy)
InChI=1S/C20H30O4/c1-10-8-19-9-20(24)14(7-15(21)18(3,4)17(20)23)11(2)13(19)6-5-12(10)16(19)22/h8,12-17,21-24H,2,5-7,9H2,1,3-4H3/t12-,13-,14+,15-,16+,17-,19+,20-/m0/s1
SMILES (Click to copy)
[C@@H]12C(C)=C[C@]3(C[C@@]4(O)[C@@H](O)C(C)(C)[C@@H](O)C[C@]4([H])C(=C)[C@]3([H])CC1)[C@@H]2O

Other Databases

PubChem CID
42608227

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 4
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 335.00
Topological Polar Surface Area 80.92
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 4
logP 2.92
Molar Refractivity 93.07

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Created at
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Updated at
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