Structure Database (LMSD)

Common Name
Gorgostan-5,25-dien-3beta-ol
Systematic Name
Gorgostan-5,25-dien-3β-ol
Synonyms
LM ID
LMST01060032
Status
Active
Exact Mass
Calculate m/z
424.370515
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

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

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

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