Structure database (LMSD)

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LM IDLMST05050009
Common NameEvasterioside D
Systematic Name24S-(β-D-glucopyranosyloxy)-5-α-cholestan-3β,6α,8,15β-tetrol
Synonyms(20R,24S)-24-O-(β-D-glucopyranosyl)-5α-cholestane-3β,6α,8,15β,24-pentaol
Exact Mass
614.4030 (neutral)    Calculate m/z:
FormulaC33H58O10
CategorySterol Lipids [ST]
Main ClassSteroid conjugates [ST05]
Sub ClassOther Steroid conjugates [ST0505]
PubChem CID52931560
InChIKeyNJUBTRJEDROBQK-RPXCZLKLSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C33H58O10/c1-16(2)23(42-30-28(40)27(39)26(38)24(15-34)43-30)7-6-17(3)19-13-21(36)29-32(19,5)11-9-25-31(4)10-8-18(35)12-20(31)22(37)14-33(25,29)41/h16-30,34-41H,6-15H2,1-5H3/t17-,18+,19-,20-,21-,22+,23+,24-,25-,26-,27+,28-,29-,30-,31+,32-,33+/m1/s1
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SMILES
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CC[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O5)C(C)C)C[C@@H](O)[C@@]4([H])[C@]3(O)C[C@H](O)[C@@]2([H])C[C@@H](O)C1
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StatusActive
ReferencesSteroid Compounds From Two Pacific Starfish of the Genus Evasterias
Biorog. Khim. 2009
DOI: 10.1134/s1068162009010166
PMID: 19377532


Marine natural products
John W. Blunt, Brent R. Copp, Murray H. G. Munro,
Peter T. Northcote and Michele R. Prinsep
Nat. Prod. Rep., 2011, 28, 196-268
Calculated physicochemical properties (?):
 Heavy Atoms43Rings5Aromatic Rings0Rotatable Bonds8
 van der Waals
Molecular Volume
605.56Topological Polar
Surface Area
182.37Hydrogen
Bond Donors
8Hydrogen
Bond Acceptors
10
 logP4.47Molar
Refractivity
162.95