Products 4651-48-3

CAS 4651-48-3 appears in our catalog under these names: Stigmasterol 3-Acetate, >95% (HPLC), Stigmasterol acetate. Offered by: TRC, MedChemExpress. Available pack sizes: 500mg, 5g, 5 mg, 25 mg, 50 mg, 10 mg.

Stigmasterol 3-Acetate, >95% (HPLC)
TRC
  • size: 500mg, 5g
  • Variants: 2
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Stigmasterol acetate
MedChemExpress
  • size: 5 mg, 25 mg, 50 mg, 10 mg
  • Variants: 4
from 2567.39
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Structural formula: {0} (CAS {1})

Stigmasterol 3-O-acetate is a steroid ester obtained by the formal condensation of the hydroxy group of phytosterol with acetic acid. It has been obtained from the mycelia of Cordyceps sinensis. It has a role as a plant metabolite and a fungal metabolite. It is an acetate ester and a steroid ester. It is functionally related to a stigmasterol. It derives from a hydride of a stigmastane.

Source: ChEBI

Identity
Molecular formulaC31H50O2
Molecular weight454.7 g/mol
IUPAC name[(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
InChIKeyIZEUIYYDWBKERE-ZRODXFKISA-N
SMILESCC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C)C(C)C

Computed by PubChem (NCBI)

Synonyms: STIGMASTEROL ACETATE, Stigmasteryl acetate, Stigmasterol 3-Acetate, stigmasterol 3-O-acetate, (22E)-stigmasta-5,22-dien-3beta-yl acetate, Stigmasta-5,22-dien-3.beta.-ol, acetate, StigAc, 3.beta.-Acetoxystigmasta-5,22-diene, Stigmasta-5,22-dien-3-beta-yl acetate
Isomers (same molecular formula)
[(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl] butanoate C31H50O2
[(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R)-5-ethyl-6-methylhept-4-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate C31H50O2
[(3S,5S,9R,10S,13R,14R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate C31H50O2
(3S,5R,10S,13R,14R,15S,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,15-diol C31H50O2
[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-methylprop-2-enoate C31H50O2