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Chemical structure of Spirohexenolide A

GC44941

Spirohexenolide A

Also known as (1E,5S,7S,10S,11Z,13Z,16R,17E)-16-hydroxy-7,8,10,12-tetramethyl-4,20-dioxatetracyclo[16.2.2.12,5.05,10]tricosa-1,8,11,13,17,21-hexaene-3,23-dione

Spirohexenolide A is a metabolite originally isolated from S

ChemicalCAS1193347-22-6MW408.5FormulaC25H28O5
CAS number
1193347-22-6
Molecular weight
408.5
Formula
C25H28O5
Solubility
Soluble in DMSO
InChIKey
SWMOMSBFRQXQAA-CZTBYGTHSA-N
Catalogue number
GC44941
Brand
GLPBIO
Computed properties PubChem CID 156593953 · XLogP 3.5 · TPSA 72.8 Ų · H-bond donors 1
XLogP
3.5
TPSA
72.8 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
0
Heavy atoms
30

SMILES C[C@H]1C[C@@]23C(=O)/C(=C\4/C=C/C(=C\[C@@H](C/C=C\C(=C/[C@@]2(C=C1C)C)\C)O)/CO4)/C(=O)O3

Computed descriptors from PubChem (CID 156593953), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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