Structure Database (LMSD)

Common Name
(-)-Stolondiol
Systematic Name
(-)-7,8:10,11-diepoxy-4(16)-dolabellene-17,18-diol
Synonyms
LM ID
LMPR0104240003
Formula
C20H32O4
Exact Mass
Calculate m/z
336.23006
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]
Dolabellane and modified dolabellane diterpenoids [PR010424]

String Representations

InChiKey (Click to copy)
AIGZUIVVXKXMDB-JADWYGHVSA-N
InChi (Click to copy)
InChI=1S/C20H32O4/c1-13-5-6-15-19(12-21,23-15)11-16-20(24-16)14(17(2,3)22)8-10-18(20,4)9-7-13/h14-16,21-22H,1,5-12H2,2-4H3/t14-,15+,16+,18+,19-,20-/m0/s1
SMILES (Click to copy)
[C@]12(CO)O[C@@H]1CCC(=C)CC[C@]1(C)CC[C@@H](C(O)(C)C)[C@]31O[C@@H]3C2

Other Databases

PubChem CID
42608238

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 4
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 337.64
Topological Polar Surface Area 65.52
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 4.68
Molar Refractivity 94.70

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Created at
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Updated at
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