Nigrosporolide

Compound Structure:

Synonyms:

(3E,5S,6Z,8S,9Z,14S)-5,8-dihydroxy-14-methyl-1-oxacyclotetradeca-3,6,9-trien-2-one; Nigrosporolide

Compound ID:

NMPC-1313

PubChem ID:

Molecular Formula:

C14H20O4

Canonical SMILES:

CC1CCCC=CC(C=CC(C=CC(=O)O1)O)O

InChIKey:

SAORJUUJHIHDBZ-LQXIYETRSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	252.31 g/mol
XLogP3-AA	1.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	252.13615911 g/mol
Monoisotopic Mass	252.13615911 g/mol
Topological Polar Surface Area	66.8Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	344
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	3
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Calliandra portoricensis

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