2-Deacetoxydecinnamoyltaxinine J

cas: 87193-98-4 — see every product listed under this CAS number, including other names

2-Deacetoxydecinnamoyltaxinine J (CAS 87193-98-4) is a chemical reagent available from Chemat. Available pack sizes: 2mg, 1mg, 5mg, 10mg, Get quote. Offered by: Biosynth, MedChemExpress.

brandBiosynth
catalog numberMDA19398-2mg
cas87193-98-4
size2mg
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properties

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

[(1R,3R,5S,7S,8S,9R,10R,13S)-7,9,10-triacetyloxy-5-hydroxy-8,12,15,15-tetramethyl-4-methylidene-13-tricyclo[9.3.1.03,8]pentadec-11-enyl] acetate (CAS 87193-98-4) is a chemical compound with the molecular formula C28H40O9 and a molecular weight of 520.6 g/mol. IUPAC name: [(1R,3R,5S,7S,8S,9R,10R,13S)-7,9,10-triacetyloxy-5-hydroxy-8,12,15,15-tetramethyl-4-methylidene-13-tricyclo[9.3.1.03,8]pentadec-11-enyl] acetate. InChIKey: WOKHREABHMWBBE-CNZAUHOSSA-N.

Identity
Molecular formulaC28H40O9
Molecular weight520.6 g/mol
IUPAC name[(1R,3R,5S,7S,8S,9R,10R,13S)-7,9,10-triacetyloxy-5-hydroxy-8,12,15,15-tetramethyl-4-methylidene-13-tricyclo[9.3.1.03,8]pentadec-11-enyl] acetate
InChIKeyWOKHREABHMWBBE-CNZAUHOSSA-N
SMILESCC1=C2[C@H]([C@@H]([C@]3([C@H](C[C@@H](C2(C)C)C[C@@H]1OC(=O)C)C(=C)[C@H](C[C@@H]3OC(=O)C)O)C)OC(=O)C)OC(=O)C

Computed by PubChem (NCBI)

Synonyms: 2-Deacetoxydecinnamoyltaxinine J, orb1683775
Isomers (same molecular formula)
(1S,2R,5S,6S,7R,9R,11R,12R,15S,16S)-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-5,6,12,15-tetrahydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one C28H40O9
(4S,5R,7R,8R,13R,16S,19R,22R)-7-hydroxy-8-[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1(21),10-dien-14-one C28H40O9
[(3S,4aR,5S,6R,6aR,10R,10aS,10bR)-5,6-diacetyloxy-4a,6a,7,10b-tetramethyl-2'-oxospiro[2,5,6,9,10,10a-hexahydro-1H-benzo[f]chromene-3,4'-oxolane]-10-yl] 2-methylpropanoate C28H40O9
(4S,5R,8S,13R,16S,19R,22R)-8-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1(21),10-dien-14-one C28H40O9