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Chemical structure of Sporidesmolide I

GC44944

Sporidesmolide I

Also known as 4,19-dimethyl-3,12-bis(2-methylpropyl)-6,9,15-tri(propan-2-yl)-1,10-dioxa-4,7,13,16-tetrazacycloicosane-2,5,8,11,14,17-hexone

Sporidesmolide is a depsipeptide originally isolated from S

ChemicalCAS2900-38-1MW638.8FormulaC33H58N4O8
CAS number
2900-38-1
Molecular weight
638.8
Formula
C33H58N4O8
Solubility
Soluble in DMSO
InChIKey
CWCLCJUWNJYVCD-UHFFFAOYSA-N
Catalogue number
GC44944
Brand
GLPBIO
Computed properties PubChem CID 122726 · XLogP 5.6 · TPSA 160 Ų · H-bond donors 3
XLogP
5.6
TPSA
160 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
45

SMILES CC1CC(=O)NC(C(=O)NC(C(=O)OC(C(=O)NC(C(=O)N(C(C(=O)OC1)CC(C)C)C)C(C)C)C(C)C)CC(C)C)C(C)C

Computed descriptors from PubChem (CID 122726), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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