Triptobenzene H

cas: 146900-55-2 — see every product listed under this CAS number, including other names

Triptobenzene H (CAS 146900-55-2) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 25mg, 50mg, Get quote. Offered by: Biosynth, MedChemExpress.

brandBiosynth
catalog numberWFA90055-10mg
cas146900-55-2
size10mg
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properties

categoryControlled Products
purityNo data
delivery time3-4 Weeks
Structural formula: {0} (CAS {1})

Triptobenzene H is an abietane diterpenoid with formula C21H28O4, originally isolated from Tripterygium wilfordii. It has a role as a plant metabolite. It is a monomethoxybenzene, a member of phenols, an abietane diterpenoid, a carbotricyclic compound, an alpha,beta-unsaturated monocarboxylic acid and a tricyclic diterpenoid.

Source: ChEBI

Identity
Molecular formulaC21H28O4
Molecular weight344.4 g/mol
IUPAC name(4aS,10aS)-5-hydroxy-8-methoxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthrene-2-carboxylic acid
InChIKeyNZQIHCWNAMEWEW-KKSFZXQISA-N
SMILESCC1=C(CC[C@]2([C@H]1CCC3=C(C(=CC(=C32)O)C(C)C)OC)C)C(=O)O

Computed by PubChem (NCBI)

Synonyms: Triptobenzene H, Hypoglic acid, orb1685006
Isomers (same molecular formula)
[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-7,17-dioxo-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate C21H28O4
2-[(8S,9R,10R,11S,13S,14R,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetaldehyde C21H28O4
(6S,8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-6,10,13-trimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-17-carboxylic acid C21H28O4
(8S,9S,10R,11S,13S,14S,17R)-17-acetyl-11,17-dihydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one C21H28O4
2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetic acid C21H28O4
(8S,10S,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one C21H28O4
(7R,8S,9S,10S,13S,14S,17R)-17-ethynyl-10-hydroperoxy-17-hydroxy-7,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C21H28O4
(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one C21H28O4
(8R,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one C21H28O4
1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol C21H28O4
(8S,9S,10R,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-dione C21H28O4
(8S,9S,10R,11R,13S,14S,17R)-17-acetyl-11,17-dihydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one C21H28O4

Also listed as

Triptobenzene H, HPLC≥95% Chemat CAS 146900-55-2