Isoepoxyestafiatin

Compound Structure:

Synonyms:

3,12-dimethyl-7-methylidene-2,9,13-trioxapentacyclo[9.4.0.01,3.06,10.012,14]pentadecan-8-one; Isoepoxyestafiatin; Estafiatin, isoepoxy-; (+)-Isoepoxyestafiatin

Compound ID:

NMPC-1154

PubChem ID:

538991

Molecular Formula:

C15H18O4

Canonical SMILES:

CC12CCC3C(C4C1(O2)CC5C4(O5)C)OC(=O)C3=C

InChIKey:

DQRKUDIDIYSHPH-UHFFFAOYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	262.30 g/mol
XLogP3-AA	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	262.12050905 g/mol
Monoisotopic Mass	262.12050905 g/mol
Topological Polar Surface Area	51.4Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	542
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	7
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Pteris togoensis

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