Structure Database (LMSD)

H H OH
Common Name
Taxa-4(20),11(12)-dien-5alpha-ol
Systematic Name
Synonyms
LM ID
LMPR0104390003
Formula
C20H32O
Exact Mass
Calculate m/z
288.245315
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C20 isoprenoids (diterpenes) [PR0104]
Taxane and Abeotaxane diterpenoids [PR010439]

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]

References

Other Databases

KEGG ID
C11895
CHEBI ID
30038
PubChem CID
443485

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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