Structure Database (LMSD)
Common Name
Stylisterol B
Systematic Name
Ergosta-5,22E-dien-3β,7β,8β,19-tetrol
Synonyms
LM ID
LMST01031211
Formula
Exact Mass
Calculate m/z
446.33961
Sum Composition
Status
Active
3D model of Stylisterol 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)
SYIBODKBOJFRIS-LOQAYGTOSA-N
InChi (Click to copy)
InChI=1S/C28H46O4/c1-17(2)18(3)6-7-19(4)22-8-9-23-26(22,5)12-11-24-27(16-29)13-10-21(30)14-20(27)15-25(31)28(23,24)32/h6-7,15,17-19,21-25,29-32H,8-14,16H2,1-5H3/b7-6+/t18-,19+,21-,22+,23+,24+,25-,26+,27+,28+/m0/s1
SMILES (Click to copy)
C1[C@]2(CO)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)/C=C/[C@H](C)C(C)C)CC[C@@]4([H])[C@]3(O)[C@@H](O)C=C2C[C@@H](O)C1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
unclassified Stylissa
(#2627146)
Demospongiae
(#6042)
New polyhydroxylated sterols stylisterols A-C and a novel 5,19-cyclosterol hatomasterol from the Okinawan marine sponge Stylissa sp.,
Steroids, 2005
Steroids, 2005
Pubmed ID:
15610898
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
32
Rings
4
Aromatic Rings
Rotatable Bonds
5
Van der Waals Molecular Volume
473.40
Topological Polar Surface Area
80.92
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
4
logP
5.61
Molar Refractivity
129.79
Admin
Created at
19th Jul 2021
Updated at
19th Jul 2021