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Chemical structure of Zedoarofuran

GC70168

Zedoarofuran

Also known as (4aS,5R,8S,8aS)-5,8-dihydroxy-3,5,8a-trimethyl-6,7,8,9-tetrahydro-4aH-benzo[f][1]benzofuran-4-one

Zedoarofuran is a natural product that can be isolated from Zedoariae Rhizoma

ChemicalCAS213833-34-2MW264.32FormulaC15H20O4
CAS number
213833-34-2
Molecular weight
264.32
Formula
C15H20O4
InChIKey
QXEXMTIZXNCRJO-BSLXNSKLSA-N
Catalogue number
GC70168
Brand
GLPBIO
Computed properties PubChem CID 11054546 · XLogP 1.3 · TPSA 70.7 Ų · H-bond donors 2
XLogP
1.3
TPSA
70.7 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
19

SMILES CC1=COC2=C1C(=O)[C@@H]3[C@](CC[C@@H]([C@]3(C2)C)O)(C)O

Computed descriptors from PubChem (CID 11054546), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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