Structure Database (LMSD)

Common Name
Stoloniferone D
Systematic Name
11α-hydroxy-5β,6β-epoxy-23-demethylgorgost-2-en-1-one
Synonyms
LM ID
LMST01060012
Status
Active
Exact Mass
Calculate m/z
440.329045
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)
DIFOUKUUJYKBGM-SJMFGSDUSA-N
InChi (Click to copy)
InChI=1S/C29H44O3/c1-15(2)16(3)18-12-19(18)17(4)21-9-10-22-20-13-25-29(32-25)11-7-8-24(31)28(29,6)26(20)23(30)14-27(21,22)5/h7-8,15-23,25-26,30H,9-14H2,1-6H3/t16-,17-,18-,19-,20+,21-,22+,23-,25-,26-,27-,28-,29-/m1/s1
SMILES (Click to copy)
[C@]12(C[C@H]3O[C@@]43CC=CC(=O)[C@]4(C)[C@@]1([H])[C@H](O)C[C@]1(C)[C@@]([H])([C@@](C)([H])[C@H]3C[C@@H]3[C@H](C)C(C)C)CC[C@@]21[H])[H]

References

Reference
Stoloniferone-a, -b, -c, and -d, four new cytotoxic steroids from the okinawan soft coral clavularia viridis
Tetrahederon Letts 1984
DOI: 10.1016/S0040-4039(01)81722-6

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Clavularia viridis (#153213)
Anthozoa (#6101)
Stoloniferone-a, -b, -c, and -d, four new cytotoxic steroids from the okinawan soft coral clavularia viridis,
Tetrahederon Letts, 1984

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 6
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 457.19
Topological Polar Surface Area 49.83
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 6.52
Molar Refractivity 127.32

Admin

Created at
-
Updated at
31st Jan 2021