LIPID MAPS

Structure Database (LMSD)

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Common Name

22R-hydroxycycloartenone

Systematic Name

22R-hydrox-9β,19-cyclolanost-24-en-3-one

Synonyms

LM ID

LMST01100042

Formula

C₃₀H₄₈O₂

Exact Mass

Calculate m/z

440.36543

Sum Composition

ST 30:3;O2

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

TUHZZSLKVAWEMC-YMTBBSQFSA-N

InChi (Click to copy)

InChI=1S/C30H48O2/c1-19(2)8-9-22(31)20(3)21-12-14-28(7)24-11-10-23-26(4,5)25(32)13-15-29(23)18-30(24,29)17-16-27(21,28)6/h8,20-24,31H,9-18H2,1-7H3/t20-,21+,22+,23-,24-,27+,28-,29+,30-/m0/s1

SMILES (Click to copy)

C1CC(=O)C(C)(C)[C@]2([H])CC[C@@]3([H])[C@]4(C)CC[C@]([H])([C@H](C)[C@H](O)C/C=C(\C)/C)[C@@]4(C)CC[C@@]43C[C@]124

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Trichilia casaretti (#1640456)

Magnoliopsida (#3398)

New hydroperoxycycloartane-complete chemical shifts assignment of 13 C and 1 H-and cytotoxicity evaluation of cycloartanes isolated from Trichilia casaretti,
Nat Prod Res, 2021

Pubmed ID: 34881656