Products 2098-65-9

CAS 2098-65-9 is the registry number for 3'H-Cyclopropa(1,2)cyclopenta(a)phenanthrene. Offered by: TRC. Available pack sizes: 100mg.

3'H-Cyclopropa(1,2)cyclopenta(a)phenanthrene
TRC
  • size: 100mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

(1S,2S,3S,5R,11R,12S,15R,16S)-15-acetyl-15-hydroxy-2,16-dimethylpentacyclo[9.7.0.02,8.03,5.012,16]octadeca-7,9-dien-6-one (CAS 2098-65-9) is a chemical compound with the molecular formula C22H28O3 and a molecular weight of 340.5 g/mol. IUPAC name: (1S,2S,3S,5R,11R,12S,15R,16S)-15-acetyl-15-hydroxy-2,16-dimethylpentacyclo[9.7.0.02,8.03,5.012,16]octadeca-7,9-dien-6-one. InChIKey: HEQOAVAMLQHQHC-BCJMKXOLSA-N.

Identity
Molecular formulaC22H28O3
Molecular weight340.5 g/mol
IUPAC name(1S,2S,3S,5R,11R,12S,15R,16S)-15-acetyl-15-hydroxy-2,16-dimethylpentacyclo[9.7.0.02,8.03,5.012,16]octadeca-7,9-dien-6-one
InChIKeyHEQOAVAMLQHQHC-BCJMKXOLSA-N
SMILESCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=CC4=CC(=O)[C@@H]5C[C@@H]5[C@]34C)C)O

Computed by PubChem (NCBI)

Synonyms: 3'H-Cyclopropa[1,2]cyclopenta[a]phenanthrene, HEQOAVAMLQHQHC-BCJMKXOLSA-N, 17alpha-hydroxy-1alpha,2alpha-methylene-4,6-pregnadiene-3,20-dione
Isomers (same molecular formula)
(4-butoxyphenyl) 4-pentylbenzoate C22H28O3
(8R,9S,10R,13S,14S,17R)-10,13-dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione C22H28O3
[(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate C22H28O3
(6S,8S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,10,13-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one C22H28O3
[(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate C22H28O3
(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-6-methylidene-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one C22H28O3
[(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,4,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate C22H28O3
[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-6-methylidene-3-oxo-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl] acetate C22H28O3
2-[3-(5-tert-butyl-2-methylphenyl)propyl]-6-methoxybenzoic acid C22H28O3
(2Z,8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-2-(hydroxymethylidene)-10,13-dimethyl-1,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one C22H28O3
[(8R,9S,10R,13S,14S,17S)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate C22H28O3
(6R,8S,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-6,17-dihydroxy-11-methylidene-2,6,7,8,9,10,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C22H28O3