Structure Database (LMSD)
Common Name
Taxa-4(20),11(12)-dien-5alpha-ol
Systematic Name
Synonyms
3D model of Taxa-4(20),11(12)-dien-5alpha-ol
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)
QHDGSWAXTYWVOP-ZNWBIBPKSA-N
InChi (Click to copy)
InChI=1S/C20H32O/c1-13-6-7-15-12-17-14(2)18(21)9-11-20(17,5)10-8-16(13)19(15,3)4/h15,17-18,21H,2,6-12H2,1,3-5H3/t15-,17+,18-,20+/m0/s1
SMILES (Click to copy)
[C@@]12(C[C@]3([H])CCC(C)=C(CC[C@]1(C)CC[C@H](O)C2=C)C3(C)C)[H]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
3
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
320.99
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
5.54
Molar Refractivity
89.55
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Created at
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Updated at
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