Gibberellin A4

The Gibberellin A4, with CAS registry number 468-44-0, belongs to the following product categories: (1)Fine Chemical & Intermediates; (2)Antibiotic Explorer; (3)Miscellaneous Plant Growth Regulators; (4)Plant Growth Regulators; (5)Plant Tissue Culture. It has the systematic name of (1S,2S,4aR,4bR,7R,9aR,10S,10aR)-2-hydroxy-1-methyl-8-methylidene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid. This chemical should be stored at the temperature of −20°C.

Physical properties of Gibberellin A4: (1)ACD/LogP: 0.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 10; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 83.83 Å²; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 84.309 cm³; (15)Molar Volume: 241.511 cm³; (16)Polarizability: 33.423×10^-24cm³; (17)Surface Tension: 60.108 dyne/cm; (18)Density: 1.376 g/cm³; (19)Flash Point: 210.438 °C; (20)Enthalpy of Vaporization: 98.804 kJ/mol; (21)Boiling Point: 574.191 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)[C@@H]3[C@]51C[C@@H](CC[C@H]1[C@@]24CC[C@H](O)[C@@](C)(C(=O)O2)[C@@H]34)C(=C)C5
(2)InChI: InChI=1/C19H24O5/c1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)/t10-,11-,12+,13-,14-,17-,18+,19-/m1/s1
(3)InChIKey: RSQSQJNRHICNNH-NFMPGMCNBU
(4)Std. InChI: InChI=1S/C19H24O5/c1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)/t10-,11-,12+,13-,14-,17-,18+,19-/m1/s1
(5)Std. InChIKey: RSQSQJNRHICNNH-NFMPGMCNSA-N