4a,7b,9a-Trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl decanoate
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Basic information
- CAS
76423-68-2- Standard SMILES
CCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H](C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@H]23)[C@@H]2C(C)(C)[C@]12O- InChIKey
LXYSVTVLQYLWKR-NHUQUWQTSA-N- Molecular formula
- C30H46O7
- Average molar mass
- 518.691 g/mol
- Monoisotopic mass
- 518.32435381
Names & identifiers
- Preferred name
- 4a,7b,9a-Trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl decanoate
- IUPAC
- (1aR,1bS,4aR,7aS,7bR,8R,9R,9aS)-4a,7b,9a-Trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl decanoate
- English name
- PHORBOL-12-DECANOATE
- Molecular formula
- C30H46O7
- Molecular weight
- 518.68
Names & synonyms
PHORBOL-12-DECANOATEPHORBOL 12-DECANOATE, 4BETADecanoic acid, (1aR,1bS,4aR,7aS,7bR,8R,9R,9aS)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b,9a-trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester
Database identifiers
- CAS
76423-68-2- PubChem CID
- 156702
- DTXSID
DTXSID50997815
Properties
Physicochemical properties
- Boiling point
- 649.153 · 649.153±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.224 · 1.224±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
- 319 · H319-H330-H300-H310-H335-H315
- Precautionary statements
- 260 · P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501-P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- 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 2
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 2
- 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
- H319-H330-H300-H310-H335-H315
- Precautionary statements
- P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501-P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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Compound notes
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