Structure Database (LMSD)

Common Name
sclareol
Systematic Name
(1R,2R,4aS,8aS)-1-[(3R)-3-hydroxy-3-methylpent-4-en-1-yl]-2,5,5,8a-tetramethyldecahydronaphthalen-2-ol labd-14-ene-8,13-diol
Synonyms
  • (13R)-Labd-14-ene-8,13-diol
LM ID
LMPR0104030010
Status
Active
Exact Mass
Calculate m/z
308.27153
Formula



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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

String Representations

InChiKey (Click to copy)
XVULBTBTFGYVRC-HHUCQEJWSA-N
InChi (Click to copy)
InChI=1S/C20H36O2/c1-7-18(4,21)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)22/h7,15-16,21-22H,1,8-14H2,2-6H3/t15-,16+,18-,19-,20+/m0/s1
SMILES (Click to copy)
C1C(C)(C)[C@]2([H])CC[C@@](C)(O)[C@H](CC[C@](O)(C)C=C)[C@@]2(C)CC1

References

Other Databases

Wikipedia
KEGG ID
CHEBI ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 2
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 344.78
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 5.27
Molar Refractivity 93.66

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Created at
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Updated at
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