LIPID MAPS

Structure Database (LMSD)

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Common Name

Strophasterol A

Systematic Name

(22R)-5α,6α-epoxy-3β,7β-dihydroxy-15(14 -22)-abeo-ergost-8-en-14-one

Synonyms

LM ID

LMST01031197

Formula

C₂₈H₄₄O₄

Exact Mass

Calculate m/z

444.32396

Sum Composition

ST 28:3;O4

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Stropharia rugosoannulata (#68746)

Agaricomycetes (#155619)

Five undescribed steroids from Talaromyces stipitatus and their cytotoxic activities against hepatoma cell lines.,
Phytochemistry, 2021

Pubmed ID: 34087503

String Representations

InChiKey (Click to copy)

ULYVEOOCGBYFBH-KWLTWCCKSA-N

InChi (Click to copy)

InChI=1S/C28H44O4/c1-15(2)16(3)13-18-7-8-20(17(18)4)26(5)11-10-21-22(24(26)31)23(30)25-28(32-25)14-19(29)9-12-27(21,28)6/h15-20,23,25,29-30H,7-14H2,1-6H3/t16-,17+,18+,19-,20+,23+,25-,26+,27+,28-/m0/s1

SMILES (Click to copy)

C1C[C@H](O)C[C@]23O[C@H]2[C@H](O)C2C(=O)[C@@](C)([C@@]4(CC[C@@](C[C@@H](C(C)C)C)([H])[C@@]4([H])C)[H])CCC=2[C@@]13C

Other Databases

PubChem CID

71490514

Calculated Physicochemical Properties

Heavy Atoms 32

Rings 5

Aromatic Rings

Rotatable Bonds 4

Van der Waals Molecular Volume 461.04

Topological Polar Surface Area 70.06

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 4

logP 6.21

Molar Refractivity 126.99

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Created at

18th Jun 2021

Updated at