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Basic information
- CAS
25090-72-6- Standard SMILES
C/C=C(\C)C(=O)O[C@@]12C[C@@H](C)[C@@]3(O)[C@@H](C=C(COC(C)=O)C[C@]4(O)C(=O)C(C)=C[C@@H]34)[C@@H]1C2(C)C- InChIKey
ZZTJICHINNSOQL-LWYYLCCUSA-N- Molecular formula
- C27H36O7
- Average molar mass
- 472.578 g/mol
- Monoisotopic mass
- 472.24610349
Names & identifiers
- Preferred name
- 12-Deoxyphorbol-13-angelate-20-acetate
- IUPAC
- (1aR,1bS,4aR,7aS,7bR,8R,9aS)-3-[(Acetyloxy)methyl]-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl (2E)-2-methylbut-2-enoate
- English name
- 12-Deoxyphorbol 13-angelate 20-acetate
- Molecular formula
- C27H36O7
- Molecular weight
- 472.57
Names & synonyms
12-DPAA12-Deoxyphorbo 13-Angelate 20-Acetate12-deoxyphorbol-13-tiglate-20-acetate12-deoxy-phorbol,20-acetate-13-tiglate12-Deoxyphorbol 13-angelate 20-acetate9a-(2-methyl-2-butenoate),(e)-9a-alpha-trihydroxy(1aR)-3-(Acetyloxymethyl)-1,1aα,1bβ,4,4a,7aα,7b,8,9,9a-decahydro-4aβ,7bα-dihydroxy-1,1,6,8α-tetramethyl-9aα-[[(Z)-2-methyl-2-butenoyl]oxy]-5H-cyclopropa[3,4]benz[1,2-e]azulen-5-one2-Butenoic acid, 2-methyl-, (1aR,1bS,4aR,7aS,7bR,8R,9aS)-3-[(acetyloxy)methyl]-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-yl ester, (2E)-
Database identifiers
- CAS
25090-72-6- PubChem CID
- 6444346
- DTXSID
DTXSID001282704- ChEMBL
CHEMBL485825- Nikkaji
- J148.878C
Properties
Physicochemical properties
- Boiling point
- 493.35 °C · 493.35°C (rough estimate)
- Density
- 1.1248 · 1.1248 (rough estimate)
- refractive index
- 1.58 · 1.5800 (estimate)
- pka
- 11.31 · 11.31±0.70(Predicted)
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
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Compound notes
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