Structure Database (LMSD)
Common Name
11alpha-Hydroxyposterone
Systematic Name
2β,3β,11α,14α-tetrahydroxy-5β-pregn-7-ene-6,20-dione
Synonyms
LM ID
LMST02030307
Formula
Exact Mass
Calculate m/z
378.204241
Sum Composition
Status
Curated
3D model of 11alpha-Hydroxyposterone
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
Serratula
(#41634)
Magnoliopsida
(#3398)
Two new ecdysteroids from Serratula wolffii.,
J Nat Prod, 2004
J Nat Prod, 2004
Pubmed ID:
15217300
DOI:
10.1021/np030544p
String Representations
InChiKey (Click to copy)
AXUBMUAOVGJKLY-RUWUBIMMSA-N
InChi (Click to copy)
InChI=1S/C21H30O6/c1-10(22)11-4-5-21(27)13-7-14(23)12-6-15(24)16(25)8-19(12,2)18(13)17(26)9-20(11,21)3/h7,11-12,15-18,24-27H,4-6,8-9H2,1-3H3/t11-,12+,15-,16+,17-,18-,19+,20-,21-/m1/s1
SMILES (Click to copy)
C1[C@@]2(C)[C@]([H])(C(=O)C=C3[C@]2([H])[C@H](O)C[C@@]2(C)[C@@]3(O)CC[C@]2([H])C(=O)C)C[C@@H](O)[C@H]1O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
27
Rings
4
Aromatic Rings
Rotatable Bonds
1
Van der Waals Molecular Volume
367.24
Topological Polar Surface Area
115.06
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
6
logP
1.90
Molar Refractivity
98.56
Admin
Created at
15th May 2023
Updated at
15th May 2023