Olean-12-en-28-oicacid, 2-(hydroxyimino)-3-oxo- (9CI) (130216-67-0)

The systematic name of 2-(Hydroxyimino)-3-oxo-olean-12-en-28-oic acid is olean-12-en-28-oic acid, 2-(hydroxyimino)-3-oxo-. With the CAS registry number 130216-67-0, it is also named as Olean-12-en-28-oicacid, 2-(hydroxyimino)-3-oxo- (9CI). In addition, its molecular formula is C₃₀H₄₅NO₄ and its molecular weight is 483.69.

The other characteristics of 2-(Hydroxyimino)-3-oxo-olean-12-en-28-oic acid can be summarized as: (1)ACD/LogP: 7.45; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.53; (4)ACD/LogD (pH 7.4): 4.71; (5)ACD/BCF (pH 5.5): 32145.88; (6)ACD/BCF (pH 7.4): 497.52; (7)ACD/KOC (pH 5.5): 31990.19; (8)ACD/KOC (pH 7.4): 495.11; (9)H bond acceptors: 5; (10)H bond donors: 2; (11)Freely Rotating Bonds: 2; (12)Polar Surface Area: 86.96 Å²; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 136.42 cm³; (15)Molar Volume: 392.3 cm³; (16)Polarizability: 54.08×10^-24cm³; (17)Surface Tension: 45.2 dyne/cm; (18)Density: 1.23 g/cm³; (19)Flash Point: 315.8 °C; (20)Enthalpy of Vaporization: 97.34 kJ/mol; (21)Boiling Point: 598.6 °C at 760 mmHg; (22)Vapour Pressure: 7.14E-16 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:C[C@]1(C[C@@H]2[C@@](CC[C@@]3(C2=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC(=NO)C(=O)[C@]5(C)C)C)C)C)(CC1)C(=O)O)C
(2)InChI:InChI=1/C30H45NO4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31-35)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19,21-22,35H,9-17H2,1-7H3,(H,33,34)/t19-,21-,22+,27-,28+,29+,30-/m0/s1
(3)InChIKey:YBQNDQPJEDCKNJ-QRARIYCABG
(4)Std. InChI:InChI=1S/C30H45NO4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31-35)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19,21-22,35H,9-17H2,1-7H3,(H,33,34)/t19-,21-,22+,27-,28+,29+,30-/m0/s1
(5)Std. InChIKey:YBQNDQPJEDCKNJ-QRARIYCASA-N