taraxeryl acetate

Compound Structure:

Synonyms:

Taraxerol acetate ;Taraxeryl acetate ;2189-80-2 ;[(3S,4aR,6aR,6aS,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-yl] acetate; Friedoolean-14-en-3-yl acetate

Compound ID:

NMPC-1516

PubChem ID:

94225

Molecular Formula:

C32H52O2

Canonical SMILES:

CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CCC4(C3=CCC5(C4CC(CC5)(C)C)C)C)C)C

InChIKey:

YWJGYBXHXATAQY-BOTWUFHUSA-N

About the compound:

Properties:

Computed Properties

Property Name	Property Value
Molecular Weight	468.8 g/mol
XLogP3-AA	9.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	468.396730897 g/mol
Monoisotopic Mass	468.396730897 g/mol
Topological Polar Surface Area	26.3Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	897
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
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:

Laggera pterodonta

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