Structure Database (LMSD)

Common Name
Taxa-4(20),11(12)-dien-5alpha,13alpha-diol
Systematic Name
Synonyms
LM ID
LMPR0104390005
Formula
C20H32O2
Exact Mass
Calculate m/z
304.24023
Status
Active
Show lipids differing only in stereochemistry/bond geometry

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)
VTDWDDILICLAEK-RDGCENLJSA-N
InChi (Click to copy)
InChI=1S/C20H32O2/c1-12-15-6-8-20(5)9-7-17(21)13(2)16(20)10-14(11-18(12)22)19(15,3)4/h14,16-18,21-22H,2,6-11H2,1,3-5H3/t14-,16-,17+,18+,20-/m1/s1
SMILES (Click to copy)
[C@@]12(C[C@]3([H])C[C@H](O)C(C)=C(CC[C@]1(C)CC[C@H](O)C2=C)C3(C)C)[H]

Other Databases

KEGG ID
C11897
CHEBI ID
30041
PubChem CID
443487

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 3
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 329.78
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 4.80
Molar Refractivity 91.45

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Created at
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Updated at
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