Structure Database (LMSD)
Common Name
15beta-hydroxyprogesterone
Systematic Name
15β-hydroxypregn-4-ene-3,20-dione
Synonyms
LM ID
LMST02030309
Formula
Exact Mass
Calculate m/z
330.219496
Sum Composition
Status
Curated
3D model of 15beta-hydroxyprogesterone
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Necrophila americana
(#219407)
Insecta
(#50557)
Defensive steroids from a carrion beetle (Silpha americana).,
Experientia, 1985
Experientia, 1985
Pubmed ID:
3987876
DOI:
10.1007/BF01966178
String Representations
InChiKey (Click to copy)
LEWIUXKKQXGQRR-XCEZYFHXSA-N
InChi (Click to copy)
InChI=1S/C21H30O3/c1-12(22)17-11-18(24)19-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16+,17-,18-,19-,20+,21-/m1/s1
SMILES (Click to copy)
C1CC2[C@@](C)([C@@]3([H])CC[C@@]4([C@@H](C(=O)C)C[C@@H](O)[C@@]4([H])[C@]13[H])C)CCC(=O)C=2
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
4
Aromatic Rings
Rotatable Bonds
1
Van der Waals Molecular Volume
340.87
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
3.98
Molar Refractivity
92.78
Admin
Created at
5th Dec 2023
Updated at
5th Dec 2023