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Cas Database

Name	Forskolin J	EINECS	N/A
CAS No.	81873-08-7	Density	1.22±0.1 g/cm3(Predicted)
PSA	119.36000	LogP	2.09070
Solubility	N/A	Melting Point	265-267 °C(Solv: chloroform (67-66-3); ethyl acetate (141-78-6))
Formula	C24H36O8	Boiling Point	530.7±50.0 °C(Predicted)
Molecular Weight	452.545	Flash Point	N/A
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	6-acetylforskolin;2'-Acetyl-biphenyl-2-carbaldehyd;6'-acetylbiphenyl-2-carbaldehyde;2'-acetyl-biphenyl-2-carbaldehyde;6-O-acetylforskolin;	Article Data	1

Forskolin J Synthetic route

: 108-24-7
acetic anhydride

: 64657-21-2
(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6-(acetyloxy)-3-ethenyldodecahydro-5,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho[2,1-b]pyran-1-one

: 81873-08-7
6-O-acetylforskolin

Conditions

Conditions	Yield
With pyridine 1.) 0-5 deg C, 3 h, 2.) room temperature, 0.5 h;	0.078 g

: 66575-29-9
forskolin

: 81873-08-7
6-O-acetylforskolin

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 0.55 g / basic alumina / benzene / 120 h 2: 0.078 g / pyridine / 1.) 0-5 deg C, 3 h, 2.) room temperature, 0.5 h View Scheme

: 81873-08-7
6-O-acetylforskolin

: C24H34O8

Conditions

Conditions	Yield
With Collins oxidation agent In dichloromethane at 20℃; for 2.5h;	2.5 mg

: 81873-08-7
6-O-acetylforskolin

: 8,13-epoxy-6β,7β,9α-trihydroxylabd-14-ene-1,11-dione

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 2.5 mg / Collins reagent / CH2Cl2 / 2.5 h / 20 °C 2: 1.9 mg / K2CO3 / methanol / 3 h / 20 °C View Scheme

Forskolin J Specification

The Forskolin J, with the CAS registry number 81873-08-7.It belongs to the product Medicine and biological chemistries. This chemical's molecular formula is C₂₄H₃₆O₈ and molecular weight is 452.53. What's more, Its systematic name is (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-10,10b-Dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromene-5,6-diyl diacetate.

Physical properties about Forskolin J are: (1)ACD/LogP: 4.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.15; (4)ACD/LogD (pH 7.4): 4.15; (5)ACD/BCF (pH 5.5): 839.24; (6)ACD/BCF (pH 7.4): 838.94; (7)ACD/KOC (pH 5.5): 4310.41; (8)ACD/KOC (pH 7.4): 4308.84; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Index of Refraction: 1.538; (13)Molar Refractivity: 115.408 cm³; (14)Molar Volume: 369.101 cm³; (15)Surface Tension: 48.8810005187988 dyne/cm; (16)Density: 1.226 g/cm³; (17)Flash Point: 170.209 °C; (18)Enthalpy of Vaporization: 92.716 kJ/mol; (19)Boiling Point: 530.672 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:CC(=O)O[C@@H]2[C@H](OC(C)=O)[C@@]1(C)O[C@](C)(CC(=O)[C@]1(O)[C@@]3(C)[C@@H](O)CC[C@@](C)(C)[C@H]23)\C=C;
(2)Std. InChI:InChI=1S/C24H36O8/c1-9-21(6)12-16(28)24(29)22(7)15(27)10-11-20(4,5)18(22)17(30-13(2)25)19(31-14(3)26)23(24,8)32-21/h9,15,17-19,27,29H,1,10-12H2,2-8H3/t15-,17-,18-,19-,21-,22-,23+,24-/m0/s1;
(3)Std. InChIKey:ZSBZMJGJWOYRBW-JZLRHMRTSA-N.

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