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Chemical structure of Aspochalasin D

GC42860

Aspochalasin D

Also known as (1S,3Z,5S,6R,9Z,11S,14S,15R,16S)-5,6-dihydroxy-9,13,14-trimethyl-16-(2-methylpropyl)-17-azatricyclo[9.7.0.01,15]octadeca-3,9,12-triene-2,18-dione

Aspochalasin D is a co-metabolite originally isolated from A

ChemicalCAS71968-02-0MW401.5FormulaC24H35NO4
CAS number
71968-02-0
Molecular weight
401.5
Formula
C24H35NO4
Solubility
Soluble in DMSO
InChIKey
GCIKKGSNXSCKCP-IJDGJKBTSA-N
Catalogue number
GC42860
Brand
GLPBIO
Computed properties PubChem CID 6440506 · XLogP 2.5 · TPSA 86.6 Ų · H-bond donors 3
XLogP
2.5
TPSA
86.6 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
29

SMILES C[C@H]1[C@H]2[C@@H](NC(=O)[C@@]23[C@@H](/C=C(\CC[C@H]([C@H](/C=C\C3=O)O)O)/C)C=C1C)CC(C)C

Computed descriptors from PubChem (CID 6440506), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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