LIPID MAPS

Structure Database (LMSD)

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Common Name

Achyranthesterone A

Systematic Name

2β,3β,14α,20S,21,22R,25-heptahydroxycholest-7-en-6-one

Synonyms

LM ID

LMST01010639

Formula

C₂₇H₄₄O₈

Exact Mass

Calculate m/z

496.303621

Sum Composition

ST 27:2;O8

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Achyranthes bidentata (#384659)

Magnoliopsida (#3398)

A new phytosterone from Achyranthes bidentata B1.,
J Asian Nat Prod Res, 2005

Pubmed ID: 15621624

DOI: 10.1080/102860203100001625094

String Representations

InChiKey (Click to copy)

UYDQOOHBGRAEBT-YPVLXUMRSA-N

InChi (Click to copy)

InChI=1S/C27H44O8/c1-23(2,33)8-7-22(32)26(34,14-28)21-6-10-27(35)16-11-18(29)17-12-19(30)20(31)13-24(17,3)15(16)5-9-25(21,27)4/h11,15,17,19-22,28,30-35H,5-10,12-14H2,1-4H3/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1

SMILES (Click to copy)

C12=CC([C@]3([H])C[C@@H](O)[C@@H](O)C[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2(O)CC[C@@]1([C@](O)(CO)[C@H](O)CCC(O)(C)C)[H])=O

Other Databases

PubChem CID

163070332

Calculated Physicochemical Properties

Heavy Atoms 35

Rings 4

Aromatic Rings

Rotatable Bonds 6

Van der Waals Molecular Volume 491.26

Topological Polar Surface Area 158.68

Hydrogen Bond Donors 7

Hydrogen Bond Acceptors 8

logP 2.83

Molar Refractivity 131.58

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Created at

29th Sep 2026

Updated at