LIPID MAPS

Structure Database (LMSD)

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Common Name

Schidigerasgenin A

Systematic Name

5β-spirost-25(27)-en-3β-ol

Synonyms

Macranthogenin

LM ID

LMST01070039

Formula

C₂₇H₄₂O₃

Exact Mass

Calculate m/z

414.313395

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

GFGFAMNBRXAQGB-IWIXHQKLSA-N

InChi (Click to copy)

InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h17-24,28H,1,5-15H2,2-4H3/t17-,18+,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1

SMILES (Click to copy)

O[C@H]1CC[C@@]2([C@@]3([C@@]([C@]4([C@](CC3)([C@@H]3[C@H](C4)O[C@@]4(OCC(=C)CC4)[C@H]3C)C)[H])([H])CC[C@@]2(C1)[H])[H])C

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Asparagus racemosus (#272846)

Magnoliopsida (#3398)

Steroidal saponins from the roots of Asparagus racemosus.,
Phytochemistry, 2008

Pubmed ID: 17936315

Other Databases

PubChem CID

10645479

Calculated Physicochemical Properties

Heavy Atoms 30

Rings 6

Aromatic Rings

Rotatable Bonds

Van der Waals Molecular Volume 425.23

Topological Polar Surface Area 42.83

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 3

logP 6.86

Molar Refractivity 119.73

Admin

Created at

13th Aug 2024

Updated at