LIPID MAPS

Structure Database (LMSD)

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Common Name

Herbertene

Systematic Name

Synonyms

LM ID

LMPR0103160010

Formula

C₁₅H₂₂

Exact Mass

Calculate m/z

202.17215

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

BBZBREYBGRYINI-OAHLLOKOSA-N

InChi (Click to copy)

InChI=1S/C15H22/c1-12-7-5-8-13(11-12)15(4)10-6-9-14(15,2)3/h5,7-8,11H,6,9-10H2,1-4H3/t15-/m1/s1

SMILES (Click to copy)

C1C=C(C)C=C([C@@]2(C)CCCC2(C)C)C=1

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Herbertus sakuraii (#280633)

Jungermanniopsida (#186771)

Herbertane-type sesquiterpenoids from the liverwort Herbertus sakuraii.,
Phytochemistry, 2000

Pubmed ID: 11142851

Other Databases

PubChem CID

10910593

Calculated Physicochemical Properties

Heavy Atoms 15

Rings 2

Aromatic Rings 1

Rotatable Bonds 1

Van der Waals Molecular Volume 224.52

Topological Polar Surface Area 0.00

Hydrogen Bond Donors 0

Hydrogen Bond Acceptors 0

logP 4.46

Molar Refractivity 66.16

Admin

Created at

8th Dec 2020

Updated at