Structure Database (LMSD)

Common Name
Evasterioside E
Systematic Name
3β,24S-di-(β-D-xylopyranosyloxy)-5-α-cholestan-6β,8,15α-triol
Synonyms
  • (20R,24S)-3,24-di-O-(beta-D-xylopyranosyl)-cholest-4-ene-3beta,6beta,8,15alpha,24-pentaol
LM ID
LMST05050010
Formula
C37H64O13
Exact Mass
Calculate m/z
716.434695
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Steroid conjugates [ST05]
Other Steroid conjugates [ST0505]
Sterols [ST01]
Cholesterol and derivatives [ST0101]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Evasterias (#7615)
Asteroidea (#7588)
[Steroid compounds from two pacific starfish of the genus Evasterias].,
Bioorg Khim, 2009
Pubmed ID: 19377532

String Representations

InChiKey (Click to copy)
RUJMEHNWWBTFFU-WHZHDLEOSA-N
InChi (Click to copy)
InChI=1S/C37H64O13/c1-17(2)26(50-34-31(45)29(43)25(41)16-48-34)7-6-18(3)20-13-22(38)32-36(20,5)11-9-27-35(4)10-8-19(12-21(35)23(39)14-37(27,32)46)49-33-30(44)28(42)24(40)15-47-33/h17-34,38-46H,6-16H2,1-5H3/t18-,19+,20-,21-,22+,23-,24-,25-,26+,27-,28+,29+,30-,31-,32-,33+,34+,35+,36-,37+/m1/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CC[C@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)C(C)C)C[C@H](O)[C@@]4([H])[C@]3(O)C[C@@H](O)[C@@]2([H])C[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C1

Other Databases

PubChem CID
52931561

Calculated Physicochemical Properties

Heavy Atoms 50
Rings 6
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 688.77
Topological Polar Surface Area 223.13
Hydrogen Bond Donors 9
Hydrogen Bond Acceptors 13
logP 4.72
Molar Refractivity 185.60

Admin

Created at
-
Updated at
5th Jul 2020