The Lanost-8-en-26-oicacid, 7,15-dihydroxy-3,11,23-trioxo-, (7β,15α,25R)-, with the CAS registry number 81907-62-2, has the systematic name of (7beta,15alpha,25R)-7,15-dihydroxy-3,11,23-trioxolanost-8-en-26-oic acid. And the molecular formula of the chemical is C30H42O7.
The characteristics of Lanost-8-en-26-oicacid, 7,15-dihydroxy-3,11,23-trioxo-, (7β,15α,25R)- are as followings: (1)ACD/LogP: 2.18; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 7; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 95.97 Å2; (7)Index of Refraction: 1.564; (8)Molar Refractivity: 137.21 cm3; (9)Molar Volume: 421.5 cm3; (10)Polarizability: 54.39×10-24cm3; (11)Surface Tension: 53.2 dyne/cm; (12)Density: 1.22 g/cm3; (13)Flash Point: 385.1 °C; (14)Enthalpy of Vaporization: 115.66 kJ/mol; (15)Boiling Point: 690.1 °C at 760 mmHg; (16)Vapour Pressure: 4.89E-22 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OC(=O)[C@H](C)CC(=O)C[C@@H](C)[C@H]2C[C@H](O)[C@@]1(C)C/3=C(\C(=O)C[C@@]12C)[C@@]4(C)CCC(=O)[C@](C)(C)[C@@H]4C[C@@H]\3O
(2)InChI: InChI=1/C30H44O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18-19,21,23,32,35H,8-14H2,1-7H3,(H,36,37)/t15-,16-,18-,19+,21+,23+,28+,29-,30+/m1/s1
(3)InChIKey: DYOKDAQBNHPJFD-JNTBEZBXBK
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