Structure Database (LMSD)
Common Name
astrogorgiadiol B
Systematic Name
(8S,9R)-9,10-seco-1,3,5(10)-cholestatriene-3,9-diol
Synonyms
3D model of astrogorgiadiol B
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
RAIDHOLJIAWOMY-DKQGWWAXSA-N
InChi (Click to copy)
InChI=1S/C27H44O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h9,11,17-18,20,23-26,28-29H,6-8,10,12-16H2,1-5H3/t20-,23+,24-,25+,26-,27-/m1/s1
SMILES (Click to copy)
C1C(C)=C(CC[C@H]2[C@]3([H])CC[C@@]([H])([C@@]3(C)CC[C@H]2O)[C@]([H])(C)CCCC(C)C)C=C(O)C=1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
unclassified Astrogorgia
(#2628164)
Anthozoa
(#6101)
Astrogorgiadiol and astrogorgin, inhibitors of cell division in fertilized starfish eggs, from a gorgonian astrogorgia sp,
Tetrahedron Letts, 1989
Tetrahedron Letts, 1989
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
29
Rings
3
Aromatic Rings
1
Rotatable Bonds
8
Van der Waals Molecular Volume
437.34
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
7.19
Molar Refractivity
122.58
Admin
Created at
-
Updated at
21st Apr 2022