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Basic information
- CAS
100929-94-0- Standard SMILES
CCCC(=O)O[C@@]12[C@H](O)[C@@H](C)[C@@]3(O)[C@@H](C=C(CO)C[C@]4(O)C(=O)C(C)=C[C@@H]34)[C@@H]1C2(C)C- InChIKey
FZXHDWWEDNRATG-JUDMOCROSA-N- Molecular formula
- C24H34O7
- Average molar mass
- 434.529 g/mol
- Monoisotopic mass
- 434.23045343
Names & identifiers
- Preferred name
- Phorbol 13-butanoate
- IUPAC
- (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b,9-Trihydroxy-3-(hydroxymethyl)-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 butanoate
- English name
- PHORBOL 13-BUTYRATE, 4BETA
- Molecular formula
- C24H34O7
- Molecular weight
- 434.52
Names & synonyms
liquidinampoulephorbol 13-butyratePHORBOL 13-BUTYRATE, 4BETA(1aR)-1,1aα,1bβ,4,4a,7aα,7b,8,9,9a-Decahydro-3-(hydroxymethyl)-5-oxo-1,1,6,8α-tetramethyl-5H-cyclopropa[3,4]benz[1,2-e]azulene-4aβ,7bα,9β,9aα-tetrol 9a-butyrateButanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b,9-trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-yl ester
Database identifiers
- CAS
100929-94-0- PubChem CID
- 439882
- DTXSID
DTXSID20331449- ChEMBL
CHEMBL3586005- ChEBI
CHEBI:17727- EC Number
- 634-490-8
- Nikkaji
- J366.990D
Properties
Physicochemical properties
- Boiling point
- 599.756 · 599.756±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.328 · 1.328±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 20 °C · −20°C
- form
- liquid
- pka
- 11.255 · 11.255±0.70(predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 300 · H300-H335-H330-H310-H319-H315
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501
- Hazard Codes
- T+
- Risk Statements
- 26 · 26/27/28-36/37/38
- Safety Statements
- 26 · 26-27-36/37/39-45
- RIDADR
- 2811 · UN 2811 6.1/PG 3
- WGK Germany
- 3 · 3
Safety & regulation
Safety data
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 3
- risk_code
- 26/27/28-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T+
- safety_code
- 26-27-36/37/39-45
- Hazard statements
- H300-H335-H330-H310-H319-H315
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: Phorbol 13-butanoate is a phorbol ester, a butyrate ester and a tertiary alpha-hydroxy ketone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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