LIPID MAPS

Structure Database (LMSD)

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Common Name

2-Deoxycucurbitacin D

Systematic Name

Synonyms

LM ID

LMST01010635

Formula

C₃₀H₄₄O₆

Exact Mass

Calculate m/z

500.313791

Sum Composition

ST 30:5;O6

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Sloanea (#45190)

Magnoliopsida (#3398)

Cytotoxic cucurbitacin constituents from Sloanea zuliaensis.,
J Nat Prod, 2003

Pubmed ID: 14640532

DOI: 10.1021/np0303106

String Representations

InChiKey (Click to copy)

KMFVVUWIGLRRLZ-NTLQYXAJSA-N

InChi (Click to copy)

InChI=1S/C30H44O6/c1-25(2,35)14-13-22(33)30(8,36)24-19(31)15-27(5)20-11-9-17-18(10-12-21(32)26(17,3)4)29(20,7)23(34)16-28(24,27)6/h9,13-14,18-20,24,31,35-36H,10-12,15-16H2,1-8H3/b14-13+/t18-,19-,20+,24+,27+,28-,29+,30+/m1/s1

SMILES (Click to copy)

[C@@]12(C)C[C@H]([C@]([H])([C@](O)(C)C(=O)/C=C/C(O)(C)C)[C@@]1(C)CC([C@@]1(C)[C@]3([H])CCC(=O)C(C)(C)C3=CC[C@@]21[H])=O)O

Other Databases

PubChem CID

21597452

Calculated Physicochemical Properties

Heavy Atoms 36

Rings 4

Aromatic Rings

Rotatable Bonds 4

Van der Waals Molecular Volume 517.66

Topological Polar Surface Area 111.90

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 6

logP 4.82

Molar Refractivity 138.37

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Created at

24th Jun 2026

Updated at