Isolongifolol

Compound Structure:

Synonyms:

[(1R,2S,7S,8S,9S)-3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl]methanol; ISOLONGIFOLOL; 1,4-Methanoazulene-9-methanol, decahydro-4,8,8-trimethyl-, (1S,3aR,4S,8aS,9S)-

Compound ID:

NMPC-1160

PubChem ID:

12311096

Molecular Formula:

C15H26O

Canonical SMILES:

CC1(CCCC2(C3C1C(C2CO)CC3)C)C

InChIKey:

VZJHQHUOVIDRCF-BIGJJFBESA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	222.37 g/mol
XLogP3-AA	4.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
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	296
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Bryophyllum pinnatum

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