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Chemical structure of Bacillosporin C

GC42895

Bacillosporin C

Also known as 3,9,15,21-tetrahydroxy-11,19-dimethyl-6,14,24-trioxaheptacyclo[16.7.1.14,8.01,15.02,13.022,26.012,27]heptacosa-2,4(27),8,10,12,18(26),19,21-octaene-7,17,23-trione

Bacillosporin C is an oxaphenalenone dimer originally isolated from T

ChemicalCAS76706-63-3MW490.4FormulaC26H18O10
CAS number
76706-63-3
Molecular weight
490.4
Formula
C26H18O10
Solubility
DMF: soluble,DMSO: soluble,Ethanol: soluble,Methanol: soluble
InChIKey
KHBPWHLZTSXJPH-UHFFFAOYSA-N
Catalogue number
GC42895
Brand
GLPBIO
Computed properties PubChem CID 101285899 · XLogP 3.2 · TPSA 160 Ų · H-bond donors 4
XLogP
3.2
TPSA
160 Ų
H-bond donors
4
H-bond acceptors
10
Rotatable bonds
0
Heavy atoms
36

SMILES CC1=CC(=C2C3=C1C(=O)CC4(C3(COC2=O)C5=C(C6=C7C(=C5O4)C(=CC(=C7C(=O)OC6)O)C)O)O)O

Computed descriptors from PubChem (CID 101285899), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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