LIPID MAPS

Structure Database (LMSD)

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Common Name

Lophachinin B

Systematic Name

Synonyms

LM ID

LMPR0104050018

Formula

C₂₁H₃₀O₅

Exact Mass

Calculate m/z

362.209325

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Lophanthus (#980636)

Magnoliopsida (#3398)

Lophachinins A-E, abietane diterpenes from a Mongolian traditional herbal medicine Lophanthus chinensis.,
Fitoterapia, 2020

Pubmed ID: 32763363

String Representations

InChiKey (Click to copy)

OZYHVYRJUCOWTL-IIDSPLMYSA-N

InChi (Click to copy)

InChI=1S/C21H30O5/c1-12(2)20-8-9-21(26-25-20)13(11-20)14(23-5)10-15-18(3)7-6-16(19(15,21)4)24-17(18)22/h11-12,14-16H,6-10H2,1-5H3/t14-,15+,16+,18-,19-,20-,21+/m1/s1

SMILES (Click to copy)

[C@@]12([H])C[C@@H](OC)C3=C[C@@]4(OO[C@]3(CC4)[C@@]1(C)[C@H]1OC(=O)[C@]2(C)CC1)C(C)C

Other Databases

PubChem CID

171120468

Calculated Physicochemical Properties

Heavy Atoms 26

Rings 7

Aromatic Rings 0

Rotatable Bonds 2

Van der Waals Molecular Volume 341.13

Topological Polar Surface Area 60.20

Hydrogen Bond Donors 0

Hydrogen Bond Acceptors 5

logP 4.71

Molar Refractivity 96.07

Admin

Created at

21st Aug 2020

Updated at