Structure Database (LMSD)

Common Name
(+)-Blennin D
Systematic Name
Synonyms
LM ID
LMPR0103620003
Formula
C15H22O4
Exact Mass
Calculate m/z
266.15181
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Isolactarane, merulane, lactarane and marasmane sesquiterpenoids [PR010362]

String Representations

InChiKey (Click to copy)
VQGAZALZDFKYPA-VEYXKJRFSA-N
InChi (Click to copy)
InChI=1S/C15H22O4/c1-8-4-9-10(6-19-13(9)17)12(16)11-5-14(2,3)7-15(8,11)18/h4,8,10-12,16,18H,5-7H2,1-3H3/t8-,10-,11?,12+,15-/m0/s1
SMILES (Click to copy)
[C@]12(O)CC(C)(C)CC1[C@H](O)[C@@]1([H])COC(=O)C1=C[C@@H]2C

Other Databases

CHEBI ID
184442
PubChem CID
42608176

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 3
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 260.86
Topological Polar Surface Area 68.83
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 2.12
Molar Refractivity 70.67

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Updated at
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