LIPID MAPS

Structure Database (LMSD)

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Common Name

Asparacemosone D

Systematic Name

(25R)-3-oxo-21-nor-spirost-5-ene

Synonyms

LM ID

LMST01080100

Formula

C₂₆H₃₈O₃

Exact Mass

Calculate m/z

398.282095

Sum Composition

ST 26:4;O3

Status

Active

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

Asparagus racemosus (#272846)

Magnoliopsida (#3398)

Spirosteroids and α-glucosidase inhibitory norlignans from Asparagus racemosus Willd. roots.,
Phytochemistry, 2020

Pubmed ID: 32562917

String Representations

InChiKey (Click to copy)

ZUSMNHMTQWISJU-RFRPDNFGSA-N

InChi (Click to copy)

InChI=1S/C26H38O3/c1-16-6-11-26(28-15-16)14-22-23(29-26)13-21-19-5-4-17-12-18(27)7-9-24(17,2)20(19)8-10-25(21,22)3/h12,16,19-23H,4-11,13-15H2,1-3H3/t16-,19-,20+,21+,22+,23+,24+,25+,26-/m1/s1

SMILES (Click to copy)

C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]5([H])C[C@]6(O[C@H]5C[C@@]4([H])[C@]3([H])CCC2=CC(=O)C1)CC[C@@]([H])(C)CO6

Other Databases

PubChem CID

171119330

Calculated Physicochemical Properties

Heavy Atoms 29

Rings 6

Aromatic Rings 0

Rotatable Bonds 0

Van der Waals Molecular Volume 405.29

Topological Polar Surface Area 39.67

Hydrogen Bond Donors 0

Hydrogen Bond Acceptors 3

logP 6.53

Molar Refractivity 113.67

Admin

Created at

3rd Nov 2020

Updated at