Structure Database (LMSD)

Common Name
Taxa-4(20),11(12)-dien-5alpha,13alpha-diol
Systematic Name
Synonyms
LM ID
LMPR0104390005
Status
Active
Exact Mass
Calculate m/z
304.24023
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
VTDWDDILICLAEK-RDGCENLJSA-N
InChi (Click to copy)
InChI=1S/C20H32O2/c1-12-15-6-8-20(5)9-7-17(21)13(2)16(20)10-14(11-18(12)22)19(15,3)4/h14,16-18,21-22H,2,6-11H2,1,3-5H3/t14-,16-,17+,18+,20-/m1/s1
SMILES (Click to copy)
[C@@]12(C[C@]3([H])C[C@H](O)C(C)=C(CC[C@]1(C)CC[C@H](O)C2=C)C3(C)C)[H]

References

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 3
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 329.78
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 4.80
Molar Refractivity 91.45

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Created at
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Updated at
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