CAS 26241-63-4 4alpha-Phorbol (HCID 114708)

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Basic information

CAS: 26241-63-4
Standard SMILES: CC1=C[C@H]2[C@@]3(O)[C@H](C)[C@@H](O)[C@]4(O)[C@H]([C@@H]3C=C(CO)C[C@@]2(O)C1=O)C4(C)C
InChIKey: QGVLYPPODPLXMB-FYYCTCHMSA-N
Molecular formula: C20H28O6
Average molar mass: 364.4 g/mol

Overview

See also: 4?-Phorbol (annotation moved to).

Names & identifiers

Preferred name: 4alpha-Phorbol
IUPAC: (1S,2S,6S,10S,11R,13S,14R,15R)-1,6,13,14-tetrahydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyltetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-5-one
English name: 4ALPHA-PHORBOL
Molecular formula: C20H28O6
Molecular weight: 364.43

Names & synonyms

4alpha-Phorbol4-alpha-PhorbolRefChem:91284226241-63-44|A-Phorbol(1S,2S,6S,10S,11R,13S,14R,15R)-1,6,13,14-tetrahydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyltetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-5-one4-Phorbol5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-, (1aR,1bS,4aS,7aS,7bS,8R,9R,9aS)-5H-Cyclopropa[3,4]benz[1,2-e]azulen-5-one, 1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-, (1aR,1bS,4aS,7aS,7bS,8R,9R,9aS)-Isophorbol; -Phorboltetrahydroxy-(hydroxymethyl)-tetramethyl-[?]one4alpha-Phorbol, powder

Show more names

4α-Phorbol4α-PHRA-PHORBOL)4A-phorbolISOPHORBOL4-ALPHA-PHRalpha-Phorbol4A-PHORBOL, 99+%phorbol (4alpha-)

orb2564738SCHEMBL29445678QGVLYPPODPLXMB-FYYCTCHMSA-N(1aR-(1aalpha,1bbeta,4aalpha,7aalpha,7balpha,8alpha,9beta,9aalpha))-1,1a,1b,4,4a,7a,7b,8,9,9a-Decahydro-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5H-cyclopropa(3,4)benz(1,2-e)azulen-5-one(1S,2S,6R,11R,13S,14R,15R)-1,6,13,14-Tetrahydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyltetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-5-one5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-, (1aR-(1aalpha,1bbeta,4aalpha,7aalpha,7balpha,8alpha,9beta,9aalpha))-AC-35132PD212972

Properties

Computed structural properties

XLogP: -0.8
Topological polar surface area: 118 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 6
Rotatable bonds: 1
Heavy atoms: 26
Formal charge: 0
Complexity: 753

Physicochemical properties

Boiling point: 571.973 · 571.973±50.00 °C(Press: 760.00 Torr)(predicted)
Density: 1.416 · 1.416±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
storage temp.: 20 °C · −20°C
solubility: 0.1 · Acetonitrile: Slightly soluble: 0.1-1 mg/mlMethanol: Sparingly soluble: 1-10 mg/mlWater: Slightly soluble: 0.1-1 mg/ml
form: powder
pka: 11.359 · 11.359±0.70(predicted)
color: white
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 300 · H300+H310+H330-H315-H319-H335
Precautionary statements: 260 · P260-P264-P280-P284-P301+P310-P302+P350
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

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_class: 6.1(b)
packing_group: III
Hazard statements: H300+H310+H330-H315-H319-H335
Precautionary statements: P260-P264-P280-P284-P301+P310-P302+P350

Chemistry & industry

Applications

Uses4α-Phorbol is a compound that can be isolated from croton oil[1].

Suppliers15 total

成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]

銘瑞集團有限公司17318633522 · [email protected]

成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]

成都普睿法药物研发有限公司82633860 18982077548 · [email protected]

成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]

Related reactions

1 records

New reaction record

HRID 358428As reactantuspto-grants-1984_08

Compound notes

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