Structure database (LMSD)

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LM IDLMPR0103620003
Common Name(+)-Blennin D
Systematic Name-
Synonyms-
Exact Mass
266.1518 (neutral)    Calculate m/z:
FormulaC15H22O4
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Isolactarane, merulane, lactarane and marasmane sesquiterpenoids [PR010362]
PubChem CID42608176
InChIKeyVQGAZALZDFKYPA-VEYXKJRFSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
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
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SMILES
[C@]12(O)CC(C)(C)CC1[C@H](O)[C@@]1([H])COC(=O)C1=C[C@@H]2C
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms19Rings3Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
260.86Topological Polar
Surface Area
68.83Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP2.12Molar
Refractivity
70.67