Gamma-sitosterol

Compound Structure:

Synonyms:

Clionasterol; GAMMA-SITOSTEROL; 83-47-6; beta-Dihydrofucosterol; 22,23-Dihydroporiferasterol

Compound ID:

NMPC-1067

PubChem ID:

457801

Molecular Formula:

C29H50O

Canonical SMILES:

CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C

InChIKey:

KZJWDPNRJALLNS-FBZNIEFRSA-N

About the compound:

Clionasterol is a member of the class of phytosterols that is poriferast-5-ene carrying a beta-hydroxy substituent at position 3. It has a role as a plant metabolite and a marine metabolite. It is a 3beta-sterol, a member of phytosterols and a 3beta-hydroxy-Delta(5)-steroid. It derives from a hydride of a poriferastane.

Properties:

Property Name	Property Value
Molecular Weight	414.7 g/mol
XLogP3-AA	9.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	6
Exact Mass	414.386166214 g/mol
Monoisotopic Mass	414.386166214 g/mol
Topological Polar Surface Area	20.2Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	634
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes
Physical Description	Solid
Melting Point	147 °C

Source: PubChem

Source Species:

Emilia coccinea
Enantia chlorantha
Flabellaria paniculata
Momordica angustisepala
Nymphaea lotus
Thaumatococcus daniellii
Myrianthus arboreus

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