Structure Database (LMSD)

Common Name
Gorgostan-5,25-dien-3beta-ol
Systematic Name
Gorgostan-5,25-dien-3β-ol
Synonyms
LM ID
LMST01060032
Formula
C30H48O
Exact Mass
Calculate m/z
424.370515
Sum Composition
ST 30:3;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Sterols [ST01]
Gorgosterols and derivatives [ST0106]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Lobophytum (#205095)
Anthozoa (#6101)
The structure and absolute configuration of the marine sterol gorgosterol.,
J Am Chem Soc, 1970
Pubmed ID: 5432671

String Representations

InChiKey (Click to copy)
ZYTBXNAKIWUFKQ-PVNJCSFGSA-N
InChi (Click to copy)
InChI=1S/C30H48O/c1-18(2)20(4)30(7)17-27(30)19(3)24-10-11-25-23-9-8-21-16-22(31)12-14-28(21,5)26(23)13-15-29(24,25)6/h8,19-20,22-27,31H,1,9-17H2,2-7H3/t19-,20+,22-,23-,24+,25-,26-,27+,28-,29+,30+/m0/s1
SMILES (Click to copy)
C1C[C@H](O)CC2=CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@]([H])(C)[C@H]5C[C@]5(C)[C@H](C)C(=C)C)[C@@]4(C)CC[C@]3([H])[C@@]12C

Other Databases

PubChem CID
163116449

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 5
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 469.27
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 8.09
Molar Refractivity 131.07

Admin

Created at
1st Feb 2021
Updated at
1st Feb 2021