Products 4651-46-1

CAS 4651-46-1 appears in our catalog under these names: α-Spinasterol acetate, α-Spinasterol acetate. Offered by: Biosynth, MedChemExpress. Available pack sizes: 5mg, 1mg, 10mg, 25mg, 50mg, 25 mg, 5 mg, 1 mg.

α-Spinasterol acetate
Biosynth
  • size: 5mg, 1mg, 10mg, 25mg
  • Variants: 5
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α-Spinasterol acetate
MedChemExpress
  • size: 25 mg, 5 mg, 1 mg, 10 mg
  • Variants: 4
from 1615.37
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Structural formula: {0} (CAS {1})

[(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 (CAS 4651-46-1) is a chemical compound with the molecular formula C31H50O2 and a molecular weight of 454.7 g/mol. IUPAC name: [(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. InChIKey: VQLULFBGTFJDEB-LSEHKVPYSA-N.

Identity
Molecular formulaC31H50O2
Molecular weight454.7 g/mol
IUPAC name[(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
InChIKeyVQLULFBGTFJDEB-LSEHKVPYSA-N
SMILESCC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C)C(C)C

Computed by PubChem (NCBI)

Synonyms: alpha-Spinasterol acetate, Spinasteryl acetate, Stigmasta-7,22-dien-3-ol, acetate, (3beta,5alpha,22E)-, orb1683182
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,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 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