benzoyl chloride;(4R,5R)-2-tert-butyl-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide;[(2S,3S)-3-[(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-3-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-1-(2-methylcyclopropyl)butan-2-yl] benzoate;[(2S,3S)-3-[(3S,5S,9S,10S,13S,14S,17R)-3-ethyl-3-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-1-(2-methylcyclopropyl)butan-2-yl] benzoate;(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(E,2S,3R)-3-hydroxyhept-5-en-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;bis((3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(E,2S,3S)-3-hydroxyhept-5-en-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol);(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(2S)-3-hydroxyhept-5-yn-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(2S,3S)-3-hydroxy-4-(2-methylcyclopropyl)butan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3S,5S,9S,10S,13S,14S,17R)-3-ethyl-17-[(2S,3S)-3-hydroxy-4-(2-methylcyclopropyl)butan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;methyl thiohypofluorite;oxolane

C266H437BClFN2O24S — CID 163429183

About benzoyl chloride;(4R,5R)-2-tert-butyl-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide;[(2S,3S)-3-[(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-3-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-1-(2-methylcyclopropyl)butan-2-yl] benzoate;[(2S,3S)-3-[(3S,5S,9S,10S,13S,14S,17R)-3-ethyl-3-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-1-(2-methylcyclopropyl)butan-2-yl] benzoate;(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(E,2S,3R)-3-hydroxyhept-5-en-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;bis((3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(E,2S,3S)-3-hydroxyhept-5-en-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol);(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(2S)-3-hydroxyhept-5-yn-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(2S,3S)-3-hydroxy-4-(2-methylcyclopropyl)butan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3S,5S,9S,10S,13S,14S,17R)-3-ethyl-17-[(2S,3S)-3-hydroxy-4-(2-methylcyclopropyl)butan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;methyl thiohypofluorite;oxolane

benzoyl chloride;(4R,5R)-2-tert-butyl-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide;[(2S,3S)-3-[(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-3-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-1-(2-methylcyclopropyl)butan-2-yl] benzoate;[(2S,3S)-3-[(3S,5S,9S,10S,13S,14S,17R)-3-ethyl-3-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-1-(2-methylcyclopropyl)butan-2-yl] benzoate;(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(E,2S,3R)-3-hydroxyhept-5-en-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;bis((3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(E,2S,3S)-3-hydroxyhept-5-en-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol);(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(2S)-3-hydroxyhept-5-yn-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(2S,3S)-3-hydroxy-4-(2-methylcyclopropyl)butan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3S,5S,9S,10S,13S,14S,17R)-3-ethyl-17-[(2S,3S)-3-hydroxy-4-(2-methylcyclopropyl)butan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;methyl thiohypofluorite;oxolane (PubChem CID 163429183) has the molecular formula C266H437BClFN2O24S and a molecular weight of 4144.74 g/mol. Its IUPAC name is benzoyl chloride;(4R,5R)-2-tert-butyl-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide;[(2S,3S)-3-[(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-3-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-1-(2-methylcyclopropyl)butan-2-yl] benzoate;[(2S,3S)-3-[(3S,5S,9S,10S,13S,14S,17R)-3-ethyl-3-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-1-(2-methylcyclopropyl)butan-2-yl] benzoate;(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(E,2S,3R)-3-hydroxyhept-5-en-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;bis((3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(E,2S,3S)-3-hydroxyhept-5-en-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol);(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(2S)-3-hydroxyhept-5-yn-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(2S,3S)-3-hydroxy-4-(2-methylcyclopropyl)butan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3S,5S,9S,10S,13S,14S,17R)-3-ethyl-17-[(2S,3S)-3-hydroxy-4-(2-methylcyclopropyl)butan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;methyl thiohypofluorite;oxolane.

Molecular Properties

• Compound Name: benzoyl chloride;(4R,5R)-2-tert-butyl-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide;[(2S,3S)-3-[(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-3-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-1-(2-methylcyclopropyl)butan-2-yl] benzoate;[(2S,3S)-3-[(3S,5S,9S,10S,13S,14S,17R)-3-ethyl-3-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-1-(2-methylcyclopropyl)butan-2-yl] benzoate;(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(E,2S,3R)-3-hydroxyhept-5-en-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;bis((3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(E,2S,3S)-3-hydroxyhept-5-en-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol);(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(2S)-3-hydroxyhept-5-yn-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(2S,3S)-3-hydroxy-4-(2-methylcyclopropyl)butan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3S,5S,9S,10S,13S,14S,17R)-3-ethyl-17-[(2S,3S)-3-hydroxy-4-(2-methylcyclopropyl)butan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;methyl thiohypofluorite;oxolane
• PubChem CID: 163429183
• Molecular Formula: C266H437BClFN2O24S
• Molecular Weight: 4144.74 g/mol
• Exact Mass: 4141.25
• IUPAC Name: benzoyl chloride;(4R,5R)-2-tert-butyl-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide;[(2S,3S)-3-[(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-3-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-1-(2-methylcyclopropyl)butan-2-yl] benzoate;[(2S,3S)-3-[(3S,5S,9S,10S,13S,14S,17R)-3-ethyl-3-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-1-(2-methylcyclopropyl)butan-2-yl] benzoate;(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(E,2S,3R)-3-hydroxyhept-5-en-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;bis((3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(E,2S,3S)-3-hydroxyhept-5-en-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol);(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(2S)-3-hydroxyhept-5-yn-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(2S,3S)-3-hydroxy-4-(2-methylcyclopropyl)butan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3S,5S,9S,10S,13S,14S,17R)-3-ethyl-17-[(2S,3S)-3-hydroxy-4-(2-methylcyclopropyl)butan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;methyl thiohypofluorite;oxolane
• SMILES: C/C=C/C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@](O)(CC)CC[C@]4(C)[C@H]3CC[C@]12C.C/C=C/C[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@](O)(CC)CC[C@]4(C)[C@H]3CC[C@]12C.C/C=C/C[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@](O)(CC)CC[C@]4(C)[C@H]3CC[C@]12C.C1CCOC1.CC#CCC(O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@](O)(CC)CC[C@]4(C)[C@H]3CC[C@]12C.CC[C@]1(O)CC[C@@]2(C)[C@@H](CCC3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)[C@@H](O)CC4CC4C)CC[C@@H]32)C1.CC[C@]1(O)CC[C@@]2(C)[C@@H](CCC3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)[C@H](CC4CC4C)OC(=O)c4ccccc4)CC[C@@H]32)C1.CC[C@]1(O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)[C@@H](O)CC4CC4C)CC[C@@H]32)C1.CC[C@]1(O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)[C@H](CC4CC4C)OC(=O)c4ccccc4)CC[C@@H]32)C1.CN(C)C(=O)[C@@H]1OB(C(C)(C)C)O[C@H]1C(=O)N(C)C.CSF.O=C(Cl)c1ccccc1
• InChI: InChI=1S/2C36H54O3.2C29H50O2.3C28H48O2.C28H46O2.C12H23BN2O4.C7H5ClO.C4H8O.CH3FS/c2*1-6-36(38)19-18-34(4)27(22-36)12-13-28-30-15-14-29(35(30,5)17-16-31(28)34)24(3)32(21-26-20-23(26)2)39-33(37)25-10-8-7-9-11-25;2*1-6-29(31)14-13-27(4)21(17-29)7-8-22-24-10-9-23(28(24,5)12-11-25(22)27)19(3)26(30)16-20-15-18(20)2;4*1-6-8-9-25(29)19(3)22-12-13-23-21-11-10-20-18-28(30,7-2)17-16-26(20,4)24(21)14-15-27(22,23)5;1-12(2,3)13-18-8(10(16)14(4)5)9(19-13)11(17)15(6)7;8-7(9)6-4-2-1-3-5-6;1-2-4-5-3-1;1-3-2/h2*7-11,23-24,26-32,38H,6,12-22H2,1-5H3;2*18-26,30-31H,6-17H2,1-5H3;3*6,8,19-25,29-30H,7,9-18H2,1-5H3;19-25,29-30H,7,9-18H2,1-5H3;8-9H,1-7H3;1-5H;1-4H2;1H3/b;;;;3*8-6+;;;;;/t23?,24-,26?,27-,28?,29+,30-,31-,32-,34-,35+,36-;23?,24-,26?,27-,28-,29+,30-,31-,32-,34-,35+,36-;18?,19-,20?,21-,22?,23+,24-,25-,26-,27-,28+,29-;18?,19-,20?,21-,22-,23+,24-,25-,26-,27-,28+,29-;19-,20-,21-,22+,23-,24-,25+,26-,27+,28-;2*19-,20-,21-,22+,23-,24-,25-,26-,27+,28-;19-,20-,21-,22+,23-,24-,25?,26-,27+,28-;8-,9-;;;/m000000001.../s1
• InChIKey: APAGSCNXTXWKDO-AXCCQZMJSA-N
• XLogP: 61.82
• TPSA: 421.20 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 25
• Rotatable Bonds: 46
• Heavy Atoms: 296
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4144.74
LogP ≤ 5	61.82
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of benzoyl chloride;(4R,5R)-2-tert-butyl-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide;[(2S,3S)-3-[(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-3-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-1-(2-methylcyclopropyl)butan-2-yl] benzoate;[(2S,3S)-3-[(3S,5S,9S,10S,13S,14S,17R)-3-ethyl-3-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-1-(2-methylcyclopropyl)butan-2-yl] benzoate;(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(E,2S,3R)-3-hydroxyhept-5-en-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;bis((3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(E,2S,3S)-3-hydroxyhept-5-en-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol);(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(2S)-3-hydroxyhept-5-yn-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(2S,3S)-3-hydroxy-4-(2-methylcyclopropyl)butan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3S,5S,9S,10S,13S,14S,17R)-3-ethyl-17-[(2S,3S)-3-hydroxy-4-(2-methylcyclopropyl)butan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;methyl thiohypofluorite;oxolane?

The IUPAC name of benzoyl chloride;(4R,5R)-2-tert-butyl-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide;[(2S,3S)-3-[(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-3-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-1-(2-methylcyclopropyl)butan-2-yl] benzoate;[(2S,3S)-3-[(3S,5S,9S,10S,13S,14S,17R)-3-ethyl-3-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-1-(2-methylcyclopropyl)butan-2-yl] benzoate;(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(E,2S,3R)-3-hydroxyhept-5-en-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;bis((3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(E,2S,3S)-3-hydroxyhept-5-en-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol);(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(2S)-3-hydroxyhept-5-yn-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(2S,3S)-3-hydroxy-4-(2-methylcyclopropyl)butan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3S,5S,9S,10S,13S,14S,17R)-3-ethyl-17-[(2S,3S)-3-hydroxy-4-(2-methylcyclopropyl)butan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;methyl thiohypofluorite;oxolane (CID 163429183) is benzoyl chloride;(4R,5R)-2-tert-butyl-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide;[(2S,3S)-3-[(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-3-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-1-(2-methylcyclopropyl)butan-2-yl] benzoate;[(2S,3S)-3-[(3S,5S,9S,10S,13S,14S,17R)-3-ethyl-3-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-1-(2-methylcyclopropyl)butan-2-yl] benzoate;(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(E,2S,3R)-3-hydroxyhept-5-en-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;bis((3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(E,2S,3S)-3-hydroxyhept-5-en-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol);(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(2S)-3-hydroxyhept-5-yn-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(2S,3S)-3-hydroxy-4-(2-methylcyclopropyl)butan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3S,5S,9S,10S,13S,14S,17R)-3-ethyl-17-[(2S,3S)-3-hydroxy-4-(2-methylcyclopropyl)butan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;methyl thiohypofluorite;oxolane.

What is the SMILES notation for benzoyl chloride;(4R,5R)-2-tert-butyl-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide;[(2S,3S)-3-[(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-3-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-1-(2-methylcyclopropyl)butan-2-yl] benzoate;[(2S,3S)-3-[(3S,5S,9S,10S,13S,14S,17R)-3-ethyl-3-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-1-(2-methylcyclopropyl)butan-2-yl] benzoate;(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(E,2S,3R)-3-hydroxyhept-5-en-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;bis((3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(E,2S,3S)-3-hydroxyhept-5-en-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol);(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(2S)-3-hydroxyhept-5-yn-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(2S,3S)-3-hydroxy-4-(2-methylcyclopropyl)butan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3S,5S,9S,10S,13S,14S,17R)-3-ethyl-17-[(2S,3S)-3-hydroxy-4-(2-methylcyclopropyl)butan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;methyl thiohypofluorite;oxolane?

The canonical SMILES for benzoyl chloride;(4R,5R)-2-tert-butyl-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide;[(2S,3S)-3-[(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-3-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-1-(2-methylcyclopropyl)butan-2-yl] benzoate;[(2S,3S)-3-[(3S,5S,9S,10S,13S,14S,17R)-3-ethyl-3-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-1-(2-methylcyclopropyl)butan-2-yl] benzoate;(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(E,2S,3R)-3-hydroxyhept-5-en-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;bis((3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(E,2S,3S)-3-hydroxyhept-5-en-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol);(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(2S)-3-hydroxyhept-5-yn-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(2S,3S)-3-hydroxy-4-(2-methylcyclopropyl)butan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3S,5S,9S,10S,13S,14S,17R)-3-ethyl-17-[(2S,3S)-3-hydroxy-4-(2-methylcyclopropyl)butan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;methyl thiohypofluorite;oxolane is C/C=C/C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@](O)(CC)CC[C@]4(C)[C@H]3CC[C@]12C.C/C=C/C[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@](O)(CC)CC[C@]4(C)[C@H]3CC[C@]12C.C/C=C/C[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@](O)(CC)CC[C@]4(C)[C@H]3CC[C@]12C.C1CCOC1.CC#CCC(O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@](O)(CC)CC[C@]4(C)[C@H]3CC[C@]12C.CC[C@]1(O)CC[C@@]2(C)[C@@H](CCC3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)[C@@H](O)CC4CC4C)CC[C@@H]32)C1.CC[C@]1(O)CC[C@@]2(C)[C@@H](CCC3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)[C@H](CC4CC4C)OC(=O)c4ccccc4)CC[C@@H]32)C1.CC[C@]1(O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)[C@@H](O)CC4CC4C)CC[C@@H]32)C1.CC[C@]1(O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)[C@H](CC4CC4C)OC(=O)c4ccccc4)CC[C@@H]32)C1.CN(C)C(=O)[C@@H]1OB(C(C)(C)C)O[C@H]1C(=O)N(C)C.CSF.O=C(Cl)c1ccccc1.

What is the InChIKey of benzoyl chloride;(4R,5R)-2-tert-butyl-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide;[(2S,3S)-3-[(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-3-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-1-(2-methylcyclopropyl)butan-2-yl] benzoate;[(2S,3S)-3-[(3S,5S,9S,10S,13S,14S,17R)-3-ethyl-3-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-1-(2-methylcyclopropyl)butan-2-yl] benzoate;(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(E,2S,3R)-3-hydroxyhept-5-en-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;bis((3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(E,2S,3S)-3-hydroxyhept-5-en-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol);(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(2S)-3-hydroxyhept-5-yn-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(2S,3S)-3-hydroxy-4-(2-methylcyclopropyl)butan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3S,5S,9S,10S,13S,14S,17R)-3-ethyl-17-[(2S,3S)-3-hydroxy-4-(2-methylcyclopropyl)butan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;methyl thiohypofluorite;oxolane?

The InChIKey is APAGSCNXTXWKDO-AXCCQZMJSA-N. The full InChI is InChI=1S/2C36H54O3.2C29H50O2.3C28H48O2.C28H46O2.C12H23BN2O4.C7H5ClO.C4H8O.CH3FS/c2*1-6-36(38)19-18-34(4)27(22-36)12-13-28-30-15-14-29(35(30,5)17-16-31(28)34)24(3)32(21-26-20-23(26)2)39-33(37)25-10-8-7-9-11-25;2*1-6-29(31)14-13-27(4)21(17-29)7-8-22-24-10-9-23(28(24,5)12-11-25(22)27)19(3)26(30)16-20-15-18(20)2;4*1-6-8-9-25(29)19(3)22-12-13-23-21-11-10-20-18-28(30,7-2)17-16-26(20,4)24(21)14-15-27(22,23)5;1-12(2,3)13-18-8(10(16)14(4)5)9(19-13)11(17)15(6)7;8-7(9)6-4-2-1-3-5-6;1-2-4-5-3-1;1-3-2/h2*7-11,23-24,26-32,38H,6,12-22H2,1-5H3;2*18-26,30-31H,6-17H2,1-5H3;3*6,8,19-25,29-30H,7,9-18H2,1-5H3;19-25,29-30H,7,9-18H2,1-5H3;8-9H,1-7H3;1-5H;1-4H2;1H3/b;;;;3*8-6+;;;;;/t23?,24-,26?,27-,28?,29+,30-,31-,32-,34-,35+,36-;23?,24-,26?,27-,28-,29+,30-,31-,32-,34-,35+,36-;18?,19-,20?,21-,22?,23+,24-,25-,26-,27-,28+,29-;18?,19-,20?,21-,22-,23+,24-,25-,26-,27-,28+,29-;19-,20-,21-,22+,23-,24-,25+,26-,27+,28-;2*19-,20-,21-,22+,23-,24-,25-,26-,27+,28-;19-,20-,21-,22+,23-,24-,25?,26-,27+,28-;8-,9-;;;/m000000001.../s1.

What are the key properties of benzoyl chloride;(4R,5R)-2-tert-butyl-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide;[(2S,3S)-3-[(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-3-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-1-(2-methylcyclopropyl)butan-2-yl] benzoate;[(2S,3S)-3-[(3S,5S,9S,10S,13S,14S,17R)-3-ethyl-3-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-1-(2-methylcyclopropyl)butan-2-yl] benzoate;(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(E,2S,3R)-3-hydroxyhept-5-en-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;bis((3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(E,2S,3S)-3-hydroxyhept-5-en-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol);(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(2S)-3-hydroxyhept-5-yn-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(2S,3S)-3-hydroxy-4-(2-methylcyclopropyl)butan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3S,5S,9S,10S,13S,14S,17R)-3-ethyl-17-[(2S,3S)-3-hydroxy-4-(2-methylcyclopropyl)butan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;methyl thiohypofluorite;oxolane?

benzoyl chloride;(4R,5R)-2-tert-butyl-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide;[(2S,3S)-3-[(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-3-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-1-(2-methylcyclopropyl)butan-2-yl] benzoate;[(2S,3S)-3-[(3S,5S,9S,10S,13S,14S,17R)-3-ethyl-3-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-1-(2-methylcyclopropyl)butan-2-yl] benzoate;(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(E,2S,3R)-3-hydroxyhept-5-en-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;bis((3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(E,2S,3S)-3-hydroxyhept-5-en-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol);(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(2S)-3-hydroxyhept-5-yn-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(2S,3S)-3-hydroxy-4-(2-methylcyclopropyl)butan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3S,5S,9S,10S,13S,14S,17R)-3-ethyl-17-[(2S,3S)-3-hydroxy-4-(2-methylcyclopropyl)butan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;methyl thiohypofluorite;oxolane has a molecular weight of 4144.74 g/mol, XLogP of 61.82, 46 rotatable bonds, 14 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for benzoyl chloride;(4R,5R)-2-tert-butyl-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide;[(2S,3S)-3-[(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-3-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-1-(2-methylcyclopropyl)butan-2-yl] benzoate;[(2S,3S)-3-[(3S,5S,9S,10S,13S,14S,17R)-3-ethyl-3-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-1-(2-methylcyclopropyl)butan-2-yl] benzoate;(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(E,2S,3R)-3-hydroxyhept-5-en-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;bis((3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(E,2S,3S)-3-hydroxyhept-5-en-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol);(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(2S)-3-hydroxyhept-5-yn-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3S,5S,8R,9S,10S,13S,14S,17R)-3-ethyl-17-[(2S,3S)-3-hydroxy-4-(2-methylcyclopropyl)butan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3S,5S,9S,10S,13S,14S,17R)-3-ethyl-17-[(2S,3S)-3-hydroxy-4-(2-methylcyclopropyl)butan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;methyl thiohypofluorite;oxolane is sourced from PubChem (CID 163429183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).