Structure Database (LMSD)

Common Name
16alpha-Hydroxydehydroepiandrosterone
Systematic Name
3β,16α-dihydroxy-5-androsten-17-one
Synonyms
LM ID
LMST02020064
Formula
Exact Mass
Calculate m/z
304.203845
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
QQIVKFZWLZJXJT-DNKQKWOHSA-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-/m0/s1
SMILES (Click to copy)
[C@@]12([H])CC=C3C[C@H](CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C([C@H](O)C[C@@]21[H])=O)O

References

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID
Cayman ID

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
-
Updated at
9th Jun 2022