LIPID MAPS

Structure Database (LMSD)

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Common Name

Ephedrannin B

Systematic Name

Synonyms

LM ID

LMPK12030018

Formula

C₃₀H₂₀O₁₀

Exact Mass

Calculate m/z

540.10565

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

View NP-MRD ID(NMR) spectrum

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Ephedra sinica (#33152)

Gnetopsida (#3372)

Dimeric proanthocyanidins from the roots of Ephedra sinica.,
Planta Med, 2008

Pubmed ID: 18975262

String Representations

InChiKey (Click to copy)

PILGQGCHRRYASY-PBYQXAPXSA-N

InChi (Click to copy)

InChI=1S/C30H20O10/c31-15-5-1-13(2-6-15)28-27(37)26(36)25-20(35)11-22-24(29(25)38-28)18-12-30(40-22,14-3-7-16(32)8-4-14)39-21-10-17(33)9-19(34)23(18)21/h1-11,18,31-35,37H,12H2/t18-,30-/m0/s1

SMILES (Click to copy)

C1(O)=CC2O[C@@]3(OC4C=C(O)C5C(=O)C(O)=C(C6=CC=C(O)C=C6)OC=5C=4[C@@H](C3)C=2C(O)=C1)C1C=CC(O)=CC=1

Other Databases

Calculated Physicochemical Properties

Heavy Atoms 40

Rings 7

Aromatic Rings 5

Rotatable Bonds 2

Van der Waals Molecular Volume 437.48

Topological Polar Surface Area 174.19

Hydrogen Bond Donors 6

Hydrogen Bond Acceptors 10

logP 5.75

Molar Refractivity 140.29

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Created at

21st Mar 2024

Updated at