LIPID MAPS

Structure Database (LMSD)

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Common Name

24(28)-dehydromakisterone A

Systematic Name

2β,3β,14α,20R,22R,25-hexahydroxy-cholest-7,24(28)-dien-6-one

Synonyms

LM ID

LMST01031375

Formula

C₂₈H₄₄O₇

Exact Mass

Calculate m/z

492.308706

Sum Composition

ST 28:3;O7

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Diploclisia glaucescens (#152357)

Magnoliopsida (#3398)

Phytoecdysteroids of Diploclisia glaucescens Seed.,
Planta Med, 1985

Pubmed ID: 17340398

DOI: 10.1055/s-2007-969388

String Representations

InChiKey (Click to copy)

XTSYLJLNVWBIFH-IJYGRGDZSA-N

InChi (Click to copy)

InChI=1S/C28H44O7/c1-15(24(2,3)33)11-23(32)27(6,34)22-8-10-28(35)17-12-19(29)18-13-20(30)21(31)14-25(18,4)16(17)7-9-26(22,28)5/h12,16,18,20-23,30-35H,1,7-11,13-14H2,2-6H3/t16-,18-,20+,21-,22-,23+,25+,26+,27+,28+/m0/s1

SMILES (Click to copy)

C12=CC(=O)[C@]3([H])C[C@@H](O)[C@@H](O)C[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)(O)[C@H](O)CC(=C)C(O)(C)C)CC[C@@]21O

Other Databases

PubChem CID

13889301

Calculated Physicochemical Properties

Heavy Atoms 35

Rings 4

Aromatic Rings

Rotatable Bonds 5

Van der Waals Molecular Volume 497.13

Topological Polar Surface Area 138.45

Hydrogen Bond Donors 6

Hydrogen Bond Acceptors 7

logP 3.74

Molar Refractivity 134.20

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Created at

24th Nov 2025

Updated at