Products 81827-74-9

CAS 81827-74-9 appears in our catalog under these names: Neotriptophenolide/ 99.46% (existing batch purity), Neotriptophenolide, Neotriptophenolide, 99.77%. Offered by: TargetMol, GLPBio, Biosynth, Chemat, MedChemExpress. Available pack sizes: 1mg, 5mg, 10mg, 25mg, 50mg, 5 mg, 10 mg, 1 mg.

Neotriptophenolide/ 99.46% (existing batch purity)
TargetMol
  • size: 1mg, 5mg, 10mg, 25mg
  • Variants: 5
from 1760.73
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Neotriptophenolide
GLPBio, Biosynth, Chemat
  • size: 1mg, 10mg, 5mg, 25mg
  • Variants: 12
from 1077.20
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Neotriptophenolide, 99.77%
MedChemExpress
  • size: 5 mg, 10 mg, 1 mg
  • Variants: 3
from 983.78
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Structural formula: {0} (CAS {1})

Neotriptophenolide is a tetracyclic diterpenoid with formula C21H26O4, originally isolated from Tripterygium wilfordii and Tripterygium hypoglaucum. It has a role as a plant metabolite. It is a tetracyclic triterpenoid, a member of phenols, an aromatic ether, a gamma-lactone and an organic heterotetracyclic compound.

Source: ChEBI

Identity
Molecular formulaC21H26O4
Molecular weight342.4 g/mol
IUPAC name(3bR,9bS)-9-hydroxy-6-methoxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e][2]benzofuran-1-one
InChIKeyYQHBJMHUMJXFDN-KKSFZXQISA-N
SMILESCC(C)C1=CC(=C2C(=C1OC)CC[C@@H]3[C@@]2(CCC4=C3COC4=O)C)O

Computed by PubChem (NCBI)

Synonyms: Neotriptophenolide, orb1217628, orb1297267
Isomers (same molecular formula)
(2E)-2-hydroxy-2-[(8S,9S,10R,11S,13S,14S)-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene]acetaldehyde C21H26O4
4-[4-(4-tert-butylphenyl)-2-hydroxybutoxy]benzoic acid C21H26O4
(8S,9S,10R,11S,13S,14S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-one C21H26O4
(8S,10S,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one C21H26O4
2-[(5-tert-butyl-2-methylphenyl)methoxymethyl]-6-methoxybenzoic acid C21H26O4
(8S,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione C21H26O4
(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-10,13-dimethylspiro[7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17,2'-oxetane]-3,3'-dione C21H26O4
(1S,2R,9S,11R,12S,13R)-6,11-dihydroxy-9,13-dimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,14,17-trien-16-one C21H26O4
1-(2,6-dihydroxyphenyl)-9-(4-hydroxyphenyl)nonan-1-one C21H26O4
[(8R,9S,13S,14S,17R)-3-methoxy-13-methyl-6-oxo-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl] acetate C21H26O4
(2Z)-2-hydroxy-2-[(8S,9S,10R,11S,13S,14S)-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene]acetaldehyde C21H26O4
3-[2-(3-hydroxy-5-methoxyphenyl)ethyl]-6-methoxy-2-(3-methylbut-2-enyl)phenol C21H26O4