LIPID MAPS

Structure Database (LMSD)

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Common Name

ent-pimara-8(14)-15-dien-19-oic acid

Systematic Name

Synonyms

LM ID

LMPR0104080012

Formula

C₂₀H₃₀O₂

Exact Mass

Calculate m/z

302.22458

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

MHVJRKBZMUDEEV-NKBYQBPKSA-N

InChi (Click to copy)

InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,13,15-16H,1,6-12H2,2-4H3,(H,21,22)/t15?,16?,18-,19-,20+/m0/s1

SMILES (Click to copy)

C1CC[C@@](C)(C(O)=O)C2CCC3=C[C@](C=C)(C)CCC3[C@]12C

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

101937505

Calculated Physicochemical Properties

Heavy Atoms 22

Rings 3

Aromatic Rings 0

Rotatable Bonds 2

Van der Waals Molecular Volume 327.14

Topological Polar Surface Area 37.30

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 2

logP 5.21

Molar Refractivity 89.54

Admin

Created at

8th Dec 2020

Updated at