Structure database (LMSD)

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LM IDLMST01060012
Common NameStoloniferone D
Systematic Name11α-hydroxy-5β,6β-epoxy-23-demethylgorgost-2-en-1-one
Synonyms-
Exact Mass
440.3290 (neutral)    Calculate m/z:
FormulaC29H44O3
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassGorgosterols and derivatives [ST0106]
AbbrevST 29:4;O3
PubChem CID21674178
InChIKeyDIFOUKUUJYKBGM-SJMFGSDUSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C29H44O3/c1-15(2)16(3)18-12-19(18)17(4)21-9-10-22-20-13-25-29(32-25)11-7-8-24(31)28(29,6)26(20)23(30)14-27(21,22)5/h7-8,15-23,25-26,30H,9-14H2,1-6H3/t16-,17-,18-,19-,20+,21-,22+,23-,25-,26-,27-,28-,29-/m1/s1
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SMILES
[C@]12(C[C@H]3O[C@@]43CC=CC(=O)[C@]4(C)[C@@]1([H])[C@H](O)C[C@]1(C)[C@@]([H])([C@@](C)([H])[C@H]3C[C@@H]3[C@H](C)C(C)C)CC[C@@]21[H])[H]
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StatusActive
ReferencesMarine Sterols
R. G. Kerr and B. J. Baker
Marine sterols. Nat. Prod. Rep. 8, 465-497
Calculated physicochemical properties (?):
 Heavy Atoms32Rings6Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume
457.19Topological Polar
Surface Area
49.83Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP6.52Molar
Refractivity
127.32