Structure Database (LMSD)

O OH H H H HO
Common Name
3a,16b-Dihydroxyandrostenone
Systematic Name
Synonyms
LM ID
LMST02020091
Formula
C19H28O3
Exact Mass
Calculate m/z
304.203845
Sum Composition
ST 19:2;O3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Steroids [ST02]
C19 steroids (androgens) and derivatives [ST0202]

String Representations

InChiKey (Click to copy)
QQIVKFZWLZJXJT-BNSUEQOYSA-N
InChi (Click to copy)
InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h3,12-16,20-21H,4-10H2,1-2H3/t12-,13-,14+,15+,16+,18+,19+/m1/s1
SMILES (Click to copy)
[C@@]12([H])CC=C3C[C@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=O)[C@@H](O)C[C@@]21[H]

References

Other Databases

HMDB ID
HMDB00309
CHEBI ID
168395
PubChem CID
44263333

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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