LIPID MAPS

Structure Database (LMSD)

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Common Name

Niuxixinsterone A

Systematic Name

(20R,22R,24S)-20-O,22-O-(5β-hydroxymethyl)-furfurylidene-2β,3β,14α,25-tetrahydroxy-5β-ergost-7-en-6-one

Synonyms

LM ID

LMST01031347

Formula

C₃₄H₅₀O₉

Exact Mass

Calculate m/z

602.345485

Sum Composition

ST 34:6;O9

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Achyranthes bidentata (#384659)

Magnoliopsida (#3398)

Three new phytoecdysteroids containing a furan ring from the roots of Achyranthes bidentata Bl.,
Molecules, 2011

Pubmed ID: 21769064

String Representations

InChiKey (Click to copy)

KPCQTDWWMAPJKX-BBEXEBBRSA-N

InChi (Click to copy)

InChI=1S/C34H50O9/c1-18(30(2,3)39)13-28-33(6,43-29(42-28)26-8-7-19(17-35)41-26)27-10-12-34(40)21-14-23(36)22-15-24(37)25(38)16-31(22,4)20(21)9-11-32(27,34)5/h7-8,14,18,20,22,24-25,27-29,35,37-40H,9-13,15-17H2,1-6H3/t18-,20-,22-,24+,25-,27-,28+,29+,31+,32+,33+,34+/m0/s1

SMILES (Click to copy)

C1[C@H](O)[C@H](O)C[C@@]2([H])C(=O)C=C3[C@]4(O)CC[C@]([H])([C@]5(O[C@H](C6OC(CO)=CC=6)O[C@@H]5C[C@H](C)C(O)(C)C)C)[C@@]4(C)CC[C@]3([H])[C@@]12C