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Chemical structure of Roridin E

GC40022

Roridin E

Also known as (1S,12E,17R,18E,20Z,24R,25R,26S)-17-(1-hydroxyethyl)-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,12,18,20-tetraene-26,2'-oxirane]-11,22-dione

Roridin E is a macrocyclic trichothecene mycotoxin that has been found in M

ChemicalCAS16891-85-3MW514.6FormulaC29H38O8
CAS number
16891-85-3
Molecular weight
514.6
Formula
C29H38O8
Solubility
Ethanol： soluble,Methanol： soluble
InChIKey
KEEQQEKLEZRLDS-AXJXMGQASA-N
Catalogue number
GC40022
Brand
GLPBIO
Computed properties PubChem CID 11968047 · XLogP 2.4 · TPSA 104 Ų · H-bond donors 1
XLogP
2.4
TPSA
104 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
1
Heavy atoms
37

SMILES CC1=CC2C3(CC1)COC(=O)/C=C(/CCO[C@H](/C=C/C=C\C(=O)O[C@H]4[C@@]3([C@]5(CO5)[C@H](C4)O2)C)C(C)O)\C

Computed descriptors from PubChem (CID 11968047), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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