Structure database (LMSD)

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LM IDLMPR0103380001
Common Name7α,11α-Dihydroxy-4(13),8-coloratadien-12,11-olide
Systematic Name-
Synonyms-
Exact Mass
264.1362 (neutral)    Calculate m/z:
FormulaC15H20O4
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Coloratane sesquiterpenoids [PR010338]
PubChem CID42608152
InChIKeyRKXFCMNFPWEQDW-AKHPIHOKSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C15H20O4/c1-7-4-5-15(3)9(8(7)2)6-10(16)11-12(15)14(18)19-13(11)17/h7,9-10,14,16,18H,2,4-6H2,1,3H3/t7-,9-,10+,14+,15-/m0/s1
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SMILES
C1C[C@]2(C)C3[C@@](O)([H])OC(=O)C=3[C@]([H])(O)C[C@@]2([H])C(=C)[C@@]1([H])C
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StatusActive
ReferencesPhytochemistry. 2008, 69, 982-987.
Calculated physicochemical properties (?):
 Heavy Atoms19Rings3Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
258.22Topological Polar
Surface Area
68.83Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP2.10Molar
Refractivity
69.91