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
Main
Classification
Category
Main Class
Sub Class
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
Nat Prod Rep, 1991
DOI:
10.1039/NP9910800465
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
Admin
Created at
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Updated at
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