LIPID MAPS

Structure Database (LMSD)

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Common Name

Perviridisinol C

Systematic Name

24-Methylene-29-Nor-5α-cycloartane-3β,21-diol

Synonyms

LM ID

LMST01100048

Formula

C₃₀H₅₀O₂

Exact Mass

Calculate m/z

442.38108

Sum Composition

ST 30:2;O2

Status

Active

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Aglaia perviridis (#306512)

Magnoliopsida (#3398)

Cycloartanes from the red alga Galaxaura sp.,
J Asian Nat Prod Res, 2005

Pubmed ID: 15621603

String Representations

InChiKey (Click to copy)

UIAGZIIGWMBFBA-RODLHURISA-N

InChi (Click to copy)

InChI=1S/C30H50O2/c1-19(2)20(3)7-8-22(17-31)24-11-13-28(6)26-10-9-23-21(4)25(32)12-14-29(23)18-30(26,29)16-15-27(24,28)5/h19,21-26,31-32H,3,7-18H2,1-2,4-6H3/t21-,22-,23-,24+,25-,26-,27+,28-,29+,30-/m0/s1

SMILES (Click to copy)

C1C[C@@]23C[C@]42CC[C@H](O)[C@@H](C)[C@]4([H])CC[C@@]3([H])[C@]2(C)CC[C@]([H])([C@@](CO)([H])CCC(=C)C(C)C)[C@@]12C

Other Databases

PubChem CID

71658236

Calculated Physicochemical Properties

Heavy Atoms 32

Rings 5

Aromatic Rings

Rotatable Bonds 6

Van der Waals Molecular Volume 480.70

Topological Polar Surface Area 40.46

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 2

logP 7.57

Molar Refractivity 133.06

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Created at

18th Dec 2021

Updated at