Structure database (LMSD)

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LM IDLMPK13070004
Common NameNorgarmultinone B
Systematic Name-
Synonyms-
Exact Mass
544.3916 (neutral)    Calculate m/z:
FormulaC37H52O3
CategoryPolyketides [PK]
Main ClassAromatic polyketides [PK13]
Sub ClassDiphenylmethanes, acylphloroglucinols and benzophenones [PK1307]
PubChem CID-
InChIKeySBVJVVFLLCFBQZ-WNSQYSPKSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C37H52O3/c1-25(2)15-14-18-31(38)37-23-29(21-19-26(3)4)35(7,8)32(33(39)28-16-12-11-13-17-28)34(37)40-36(9,10)30(24-37)22-20-27(5)6/h11-13,15-17,19-20,29-30H,14,18,21-24H2,1-10H3/t29-,30+,37-/m1/s1
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SMILES
C1=CC(C(=O)C2[C@@](C)(C)[C@H](C/C=C(\C)/C)C[C@@]3(C[C@H](C/C=C(\C)/C)[C@@](C)(C)OC=23)C(=O)CC/C=C(\C)/C)=CC=C1
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StatusActive
ReferencesTwo Novel Cyclohexanone-Monocyclic Polycyclic Polyprenylated Acylphloroglucinols From Garcinia multiflora Fruits
DOI: 10.1080/14786419.2020.1788559
PMID: 32603194
Calculated physicochemical properties (?):
 Heavy Atoms40Rings3Aromatic Rings1Rotatable Bonds10
 van der Waals
Molecular Volume
603.29Topological Polar
Surface Area
45.44Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
3
 logP10.29Molar
Refractivity
167.67