Structure Database (LMSD)

Common Name
Taxa-4(20),11(12)-dien-5alpha-ol
Systematic Name
Synonyms
LM ID
LMPR0104390003
Formula
Exact Mass
Calculate m/z
288.245315
Status
Active

Classification

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

KEGG ID
CHEBI ID
PubChem CID

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

Admin

Created at
-
Updated at
-