LIPID MAPS

Structure Database (LMSD)

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Common Name

Poduran

Systematic Name

Synonyms

LM ID

LMPR01071071

Formula

C₄₀H₇₄

Exact Mass

Calculate m/z

554.579051

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Podura aquatica (#50589)

Collembola (#30001)

Poduran, an unusual tetraterpene from the springtail Podura aquatica,
Tetrahedron Letts, 1997

DOI: 10.1016/S0040-4039(97)00341-9

String Representations

InChiKey (Click to copy)

QBUWYPSTNDPQKI-IUDPCILUSA-N

InChi (Click to copy)

InChI=1S/C40H74/c1-29(2)15-10-16-30(3)17-11-18-31(4)19-12-20-32(5)21-13-22-33(6)23-14-24-34(7)38-37-27-28-40(37,9)36-26-25-35(8)39(36)38/h29-33,35-39H,7,10-28H2,1-6,8-9H3/t30?,31?,32?,33?,35-,36+,37+,38-,39-,40-/m1/s1

SMILES (Click to copy)

C([C@@H]1[C@@H]2CC[C@]2(C)[C@@]2([H])CC[C@@H](C)[C@@]12[H])(=C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)C

Calculated Physicochemical Properties

Heavy Atoms 40

Rings 3

Aromatic Rings

Rotatable Bonds 21

Van der Waals Molecular Volume 660.84

Topological Polar Surface Area 0.00

Hydrogen Bond Donors

Hydrogen Bond Acceptors

logP 13.30

Molar Refractivity 179.59

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Created at

15th Apr 2025

Updated at