Structure Database (LMSD)

Systematic Name
3β,6α-dihydroxy-5α-androst-9(11)-en-17-one
Synonyms
LM ID
LMST02020109
Status
Active
Exact Mass
Calculate m/z
304.203845
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)
XPZLHFVJJIIHPB-JBKBKXHMSA-N
InChi (Click to copy)
InChI=1S/C19H28O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h6,11-13,15-16,20-21H,3-5,7-10H2,1-2H3/t11-,12-,13-,15+,16-,18+,19-/m0/s1
SMILES (Click to copy)
C1[C@]2(C)C3=CC[C@]4(C)C(=O)CC[C@@]4([H])[C@]3([H])C[C@H](O)[C@@]2([H])C[C@@H](O)C1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Asterias forbesi (#7603)
Asteroidea (#7588)
Marine Sterols,
Nat Prod Rep, 1991

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 4
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 308.91
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 3.42
Molar Refractivity 85.13

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Created at
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Updated at
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