Structure Database (LMSD)
Common Name
(-)-Spruceanol
Systematic Name
(-)-8,11,13,15-cleistanthatetraene-3,12-diol
Synonyms
3D model of (-)-Spruceanol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Level 4 Class
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
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
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Updated at
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