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Chemical structure of Territrem B

GC40023

Territrem B

Also known as (1S,2S,7R,10R)-1,7-dihydroxy-2,6,6,10-tetramethyl-14-(3,4,5-trimethoxyphenyl)-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-4,12(17),13-triene-3,16-dione

Territrem B is a mycotoxin originally isolated from A

ChemicalCAS70407-20-4MW526.6FormulaC29H34O9
CAS number
70407-20-4
Molecular weight
526.6
Formula
C29H34O9
Solubility
Soluble in DMSO
InChIKey
PBXNNDFKPQPJBB-VJLHXPKFSA-N
Catalogue number
GC40023
Brand
GLPBIO
Computed properties PubChem CID 114734 · XLogP 2.8 · TPSA 121 Ų · H-bond donors 2
XLogP
2.8
TPSA
121 Ų
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
4
Heavy atoms
38

SMILES C[C@@]12CC[C@@]3([C@@]([C@]1(CC4=C(O2)C=C(OC4=O)C5=CC(=C(C(=C5)OC)OC)OC)O)(C(=O)C=CC3(C)C)C)O

Computed descriptors from PubChem (CID 114734), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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