Structure Database (LMSD)

Common Name
Strongylosterol
Systematic Name
26-methylstigmasta-5,25(27)-dien-3β-ol
Synonyms
LM ID
LMST01040161
Status
Active
Exact Mass
Calculate m/z
426.386165
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)
NLVGXXWYWDSDAW-VHZNKUSHSA-N
InChi (Click to copy)
InChI=1S/C30H50O/c1-7-20(3)22(8-2)10-9-21(4)26-13-14-27-25-12-11-23-19-24(31)15-17-29(23,5)28(25)16-18-30(26,27)6/h11,21-22,24-28,31H,3,7-10,12-19H2,1-2,4-6H3/t21-,22-,24+,25+,26-,27+,28+,29+,30-/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](CC)C(CC)=C)CC[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O)C1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Petrosia durissima (#2737399)
Demospongiae (#6042)
Chemical studies of marine invertebrates. XXXVI(1). Strongylosterol, a novel C-30 sterol from the sponge strongylophora durissima Dendy,
Bull Soc Chim Belges, 1978

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 4
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 481.63
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 8.62
Molar Refractivity 133.32

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Created at
-
Updated at
27th Jan 2022