LIPID MAPS

Structure Database (LMSD)

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Common Name

11alpha-Hydroxyposterone

Systematic Name

2β,3β,11α,14α-tetrahydroxy-5β-pregn-7-ene-6,20-dione

Synonyms

LM ID

LMST02030307

Formula

C₂₁H₃₀O₆

Exact Mass

Calculate m/z

378.20424

Sum Composition

ST 21:3;O6

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Serratula (#41634)

Magnoliopsida (#3398)

Two new ecdysteroids from Serratula wolffii.,
J Nat Prod, 2004

Pubmed ID: 15217300

Other Databases

PubChem CID

11360938

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