LIPID MAPS

Structure Database (LMSD)

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Systematic Name

3β-hydroxy-4α,14α-dimethyl-5α-ergosta-8,24(28)-dien-7-one

Synonyms

LM ID

LMST01031394

Formula

C₃₀H₄₈O₂

Exact Mass

Calculate m/z

440.365431

Sum Composition

ST 30:3;O2

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Euphorbia chamaesyce (#1046441)

Magnoliopsida (#3398)

Obtusifoliol and related steroids from the whole herb of Euphorbia chamaesyce,
Phytochemistry, 1999

DOI: 10.1016/S0031-9422(99)00041-2

String Representations

InChiKey (Click to copy)

CHJYKAZVNHSGMF-OOTSOQCUSA-N

InChi (Click to copy)

InChI=1S/C30H48O2/c1-18(2)19(3)9-10-20(4)22-11-16-30(8)27-23(12-15-29(22,30)7)28(6)14-13-25(31)21(5)24(28)17-26(27)32/h18,20-22,24-25,31H,3,9-17H2,1-2,4-8H3/t20-,21+,22-,24+,25+,28-,29-,30+/m1/s1

SMILES (Click to copy)

C1[C@H](O)[C@@H](C)[C@]2([H])CC(=O)C3[C@@]4(CC[C@]([H])([C@H](C)CCC(=C)C(C)C)[C@@]4(C)CCC=3[C@@]2(C)C1)C

Other Databases

PubChem CID

15478799

Calculated Physicochemical Properties

Heavy Atoms 32

Rings 4

Aromatic Rings

Rotatable Bonds 5

Van der Waals Molecular Volume 487.78

Topological Polar Surface Area 37.30

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 2

logP 7.80

Molar Refractivity 133.71

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Created at

20th Oct 2026

Updated at