LIPID MAPS

Structure Database (LMSD)

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Systematic Name

3α,23-dihydroxy-30-oxolup-20(29)-en-28-oic acid

Synonyms

LM ID

LMPR0106140010

Formula

C₃₀H₄₆O₅

Exact Mass

Calculate m/z

486.334525

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Phoradendron vernicosum (#136782)

Magnoliopsida (#3398)

Two new triterpenoid fatty acid esters from Schefflera barteri Harms (Araliaceae),
Nat Prod Res., 2020

Pubmed ID: 33203260

String Representations

InChiKey (Click to copy)

QFMLBJPCQONEAF-UMQPZAPUSA-N

InChi (Click to copy)

InChI=1S/C30H46O5/c1-18(16-31)19-8-13-30(25(34)35)15-14-28(4)20(24(19)30)6-7-22-26(2)11-10-23(33)27(3,17-32)21(26)9-12-29(22,28)5/h16,19-24,32-33H,1,6-15,17H2,2-5H3,(H,34,35)/t19-,20+,21+,22+,23+,24+,26-,27-,28+,29+,30-/m0/s1

SMILES (Click to copy)

[C@@]12(C)CC[C@@]3(C(O)=O)CC[C@@]([H])(C(=C)C=O)[C@]3([H])[C@@]1([H])CC[C@]1([H])[C@@]3(C)CC[C@@H](O)[C@@](C)(CO)[C@]3([H])CC[C@@]21C

Other Databases

PubChem CID

171119000

Calculated Physicochemical Properties

Heavy Atoms 35

Rings 5

Aromatic Rings 0

Rotatable Bonds 4

Van der Waals Molecular Volume 501.79

Topological Polar Surface Area 94.83

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 5

logP 5.81

Molar Refractivity 135.42

Admin

Created at

18th Nov 2020

Updated at