Dehydrovomifoliol

Compound Structure:

Synonyms:

(4S)-4-hydroxy-3,5,5-trimethyl-4-[(E)-3-oxobut-1-enyl]cyclohex-2-en-1-one; Dehydrovomifoliol; (+)-(S)-Dehydrovomifoliol; (4S)-4-Hydroxy-3,5,5-trimethyl-4-[3-oxobut-1-en-1-yl]cyclohex-2-en-1-one; (6S)-6-hydroxy-3-oxo-alpha-ionone

Compound ID:

NMPC-959

PubChem ID:

688492

Molecular Formula:

C13H18O3

Canonical SMILES:

CC1=CC(=O)CC(C1(C=CC(=O)C)O)(C)C

InChIKey:

JJRYPZMXNLLZFH-URWSZGRFSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	222.28 g/mol
XLogP3-AA	0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	222.125594432 g/mol
Monoisotopic Mass	222.125594432 g/mol
Topological Polar Surface Area	54.4Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	388
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Luffa cylindrica

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