Structure Database (LMSD)

Common Name
(-)-Spruceanol
Systematic Name
(-)-8,11,13,15-cleistanthatetraene-3,12-diol
Synonyms
LM ID
LMPR0104100003
Status
Active
Exact Mass
Calculate m/z
300.20893
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)
KNSRUHGNXCWGHF-CMKODMSKSA-N
InChi (Click to copy)
InChI=1S/C20H28O2/c1-6-13-12(2)16(21)11-15-14(13)7-8-17-19(3,4)18(22)9-10-20(15,17)5/h6,11,17-18,21-22H,1,7-10H2,2-5H3/t17-,18-,20+/m0/s1
SMILES (Click to copy)
[C@H]1(O)CC[C@]2(C)C3C=C(O)C(C)=C(C=C)C=3CC[C@@]2([H])C1(C)C

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 3
Aromatic Rings 1
Rotatable Bonds 1
Van der Waals Molecular Volume 313.60
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 4.63
Molar Refractivity 91.63

Admin

Created at
-
Updated at
-