Ledol isomer

Compound Structure:

Synonyms:

(1aS,7R,7bR)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol; Ledol, isomer 1

Compound ID:

NMPC-1196

PubChem ID:

Molecular Formula:

C15H26O

Canonical SMILES:

CC1CCC2C1C3C(C3(C)C)CCC2(C)O

InChIKey:

AYXPYQRXGNDJFU-LLEMKJCHSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	222.37 g/mol
XLogP3-AA	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	222.198365449 g/mol
Monoisotopic Mass	222.198365449 g/mol
Topological Polar Surface Area	20.2Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	309
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Murraya Koenigii

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