LIPID MAPS

Structure Database (LMSD)

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Common Name

Cytochalasin S

Systematic Name

Synonyms

LM ID

LMPK11000037

Formula

C₂₈H₃₉NO₅

Exact Mass

Calculate m/z

469.282824

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Diaporthe longicolla (#54899)

Sordariomycetes (#147550)

Six new 10-pheynl-[11]cytochalasans, cytochalasins N - S from phomopsis SP.,
Tetrahedron, 1989

DOI: 10.1016/S0040-4020(01)83434-7

String Representations

InChiKey (Click to copy)

IWNYMETYLRNJJP-RCKNNXTOSA-N

InChi (Click to copy)

InChI=1S/C28H39NO5/c1-17-9-8-12-20-23(31)18(2)27(4,34)24-21(15-19-10-6-5-7-11-19)29-25(32)28(20,24)22(30)13-14-26(3,33)16-17/h5-8,10-14,17-18,20-24,30-31,33-34H,9,15-16H2,1-4H3,(H,29,32)/b12-8+,14-13+/t17-,18-,20-,21-,22+,23+,24+,26-,27+,28+/m0/s1

SMILES (Click to copy)

[C@]1(C)(O)[C@@H](C)[C@@H](O)[C@]2([H])C=CC[C@H](C)C[C@](O)(C)C=C[C@H]([C@@]32C(=O)N[C@@H](CC2C=CC=CC=2)[C@]13[H])O

Other Databases

PubChem CID

21725815

Calculated Physicochemical Properties

Heavy Atoms 34

Rings 4

Aromatic Rings 1

Rotatable Bonds 2

Van der Waals Molecular Volume 471.73

Topological Polar Surface Area 110.02

Hydrogen Bond Donors 5

Hydrogen Bond Acceptors 6

logP 3.79

Molar Refractivity 133.15

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Created at

13th Jan 2026

Updated at