sodium;bromo-ethyl-triphenyl-λ5-phosphane;(2R,6R,9S,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-11-phenylmethoxy-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-ol;(2R,6R,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-11-phenylmethoxy-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-one;tert-butyl-dimethyl-[[(2R,6R,9S,11S,12R,16S,17S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-yl]oxy]silane;(2R,6R,9S,11S,12R,16S,17Z)-17-ethylidene-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane;hydride;oxolane;(2R,6R,9S,11S,12R,16S,17S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-ol;(2R,6R,9S,11S,12R,16S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-one

C246H345BrNaO30PSi3 — CID 159394282

IUPACsodium;bromo-ethyl-triphenyl-λ5-phosphane;(2R,6R,9S,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-11-phenylmethoxy-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-ol;(2R,6R,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-11-phenylmethoxy-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-one;tert-butyl-dimethyl-[[(2R,6R,9S,11S,12R,16S,17S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-yl]oxy]silane;(2R,6R,9S,11S,12R,16S,17Z)-17-ethylidene-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane;hydride;oxolane;(2R,6R,9S,11S,12R,16S,17S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-ol;(2R,6R,9S,11S,12R,16S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-one
SMILESC/C=C1/CCC2C3C(CC[C@]12C)[C@]1(C)C(C[C@H](OCc2ccccc2)C[C@@H]1OCc1ccccc1)[C@H]1OC(C)(C)O[C@H]31.C1CCOC1.CC1(C)O[C@@H]2C3C(CC[C@@]4(C)C3CC[C@@H]4O)[C@]3(C)C(C[C@H](OCc4ccccc4)C[C@@H]3OCc3ccccc3)[C@H]2O1.CC1(C)O[C@@H]2C3C(CC[C@@]4(C)C3CC[C@@H]4O[Si](C)(C)C(C)(C)C)[C@]3(C)C(CC(=O)C[C@@H]3OCc3ccccc3)[C@H]2O1.CC1(C)O[C@@H]2C3C(CC[C@@]4(C)C3CC[C@@H]4O[Si](C)(C)C(C)(C)C)[C@]3(C)C(C[C@H](O)C[C@@H]3OCc3ccccc3)[C@H]2O1.CC1(C)O[C@@H]2C3C(CC[C@@]4(C)C3CC[C@@H]4O[Si](C)(C)C(C)(C)C)[C@]3(C)C(C[C@H](OCc4ccccc4)C[C@@H]3OCc3ccccc3)[C@H]2O1.CC1(C)O[C@@H]2C3C(CC[C@]4(C)C(=O)CCC34)[C@]3(C)C(C[C@H](OCc4ccccc4)C[C@@H]3OCc3ccccc3)[C@H]2O1.CCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.[H-].[Na+]
InChIInChI=1S/C42H62O5Si.C38H50O4.C36H48O5.C36H46O5.C35H56O5Si.C35H54O5Si.C20H20BrP.C4H8O.Na.H/c1-39(2,3)48(8,9)47-34-21-20-31-36-32(22-23-41(31,34)6)42(7)33(37-38(36)46-40(4,5)45-37)24-30(43-26-28-16-12-10-13-17-28)25-35(42)44-27-29-18-14-11-15-19-29;1-6-27-17-18-29-33-30(19-20-37(27,29)4)38(5)31(34-35(33)42-36(2,3)41-34)21-28(39-23-25-13-9-7-10-14-25)22-32(38)40-24-26-15-11-8-12-16-26;2*1-34(2)40-32-28-19-25(38-21-23-11-7-5-8-12-23)20-30(39-22-24-13-9-6-10-14-24)36(28,4)27-17-18-35(3)26(15-16-29(35)37)31(27)33(32)41-34;2*1-32(2,3)41(8,9)40-27-16-15-24-29-25(17-18-34(24,27)6)35(7)26(30-31(29)39-33(4,5)38-30)19-23(36)20-28(35)37-21-22-13-11-10-12-14-22;1-2-22(21,18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;1-2-4-5-3-1;;/h10-19,30-38H,20-27H2,1-9H3;6-16,28-35H,17-24H2,1-5H3;5-14,25-33,37H,15-22H2,1-4H3;5-14,25-28,30-33H,15-22H2,1-4H3;10-14,23-31,36H,15-21H2,1-9H3;10-14,24-31H,15-21H2,1-9H3;3-17H,2H2,1H3;1-4H2;;/q;;;;;;;;+1;-1/b;27-6-;;;;;;;;/t30-,31?,32?,33?,34-,35-,36?,37+,38+,41-,42+;28-,29?,30?,31?,32-,33?,34+,35+,37+,38+;25-,26?,27?,28?,29-,30-,31?,32+,33+,35-,36+;25-,26?,27?,28?,30-,31?,32+,33+,35-,36+;23-,24?,25?,26?,27-,28-,29?,30+,31+,34-,35+;24?,25?,26?,27-,28-,29?,30+,31+,34-,35+;;;;/m000000..../s1
InChIKeyGGKUJWQRTRHPOA-BLHKNXMVSA-N
MW4000.56 g/mol
LogP50.86
Rot. Bonds40

About sodium;bromo-ethyl-triphenyl-λ5-phosphane;(2R,6R,9S,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-11-phenylmethoxy-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-ol;(2R,6R,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-11-phenylmethoxy-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-one;tert-butyl-dimethyl-[[(2R,6R,9S,11S,12R,16S,17S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-yl]oxy]silane;(2R,6R,9S,11S,12R,16S,17Z)-17-ethylidene-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane;hydride;oxolane;(2R,6R,9S,11S,12R,16S,17S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-ol;(2R,6R,9S,11S,12R,16S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-one

sodium;bromo-ethyl-triphenyl-λ5-phosphane;(2R,6R,9S,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-11-phenylmethoxy-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-ol;(2R,6R,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-11-phenylmethoxy-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-one;tert-butyl-dimethyl-[[(2R,6R,9S,11S,12R,16S,17S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-yl]oxy]silane;(2R,6R,9S,11S,12R,16S,17Z)-17-ethylidene-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane;hydride;oxolane;(2R,6R,9S,11S,12R,16S,17S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-ol;(2R,6R,9S,11S,12R,16S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-one (PubChem CID 159394282) has the molecular formula C246H345BrNaO30PSi3 and a molecular weight of 4000.56 g/mol. Its IUPAC name is sodium;bromo-ethyl-triphenyl-λ5-phosphane;(2R,6R,9S,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-11-phenylmethoxy-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-ol;(2R,6R,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-11-phenylmethoxy-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-one;tert-butyl-dimethyl-[[(2R,6R,9S,11S,12R,16S,17S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-yl]oxy]silane;(2R,6R,9S,11S,12R,16S,17Z)-17-ethylidene-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane;hydride;oxolane;(2R,6R,9S,11S,12R,16S,17S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-ol;(2R,6R,9S,11S,12R,16S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-one.

Molecular Properties

Compound Namesodium;bromo-ethyl-triphenyl-λ5-phosphane;(2R,6R,9S,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-11-phenylmethoxy-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-ol;(2R,6R,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-11-phenylmethoxy-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-one;tert-butyl-dimethyl-[[(2R,6R,9S,11S,12R,16S,17S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-yl]oxy]silane;(2R,6R,9S,11S,12R,16S,17Z)-17-ethylidene-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane;hydride;oxolane;(2R,6R,9S,11S,12R,16S,17S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-ol;(2R,6R,9S,11S,12R,16S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-one
PubChem CID159394282
Molecular FormulaC246H345BrNaO30PSi3
Molecular Weight4000.56 g/mol
Exact Mass3996.36
IUPAC Namesodium;bromo-ethyl-triphenyl-λ5-phosphane;(2R,6R,9S,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-11-phenylmethoxy-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-ol;(2R,6R,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-11-phenylmethoxy-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-one;tert-butyl-dimethyl-[[(2R,6R,9S,11S,12R,16S,17S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-yl]oxy]silane;(2R,6R,9S,11S,12R,16S,17Z)-17-ethylidene-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane;hydride;oxolane;(2R,6R,9S,11S,12R,16S,17S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-ol;(2R,6R,9S,11S,12R,16S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-one
SMILESC/C=C1/CCC2C3C(CC[C@]12C)[C@]1(C)C(C[C@H](OCc2ccccc2)C[C@@H]1OCc1ccccc1)[C@H]1OC(C)(C)O[C@H]31.C1CCOC1.CC1(C)O[C@@H]2C3C(CC[C@@]4(C)C3CC[C@@H]4O)[C@]3(C)C(C[C@H](OCc4ccccc4)C[C@@H]3OCc3ccccc3)[C@H]2O1.CC1(C)O[C@@H]2C3C(CC[C@@]4(C)C3CC[C@@H]4O[Si](C)(C)C(C)(C)C)[C@]3(C)C(CC(=O)C[C@@H]3OCc3ccccc3)[C@H]2O1.CC1(C)O[C@@H]2C3C(CC[C@@]4(C)C3CC[C@@H]4O[Si](C)(C)C(C)(C)C)[C@]3(C)C(C[C@H](O)C[C@@H]3OCc3ccccc3)[C@H]2O1.CC1(C)O[C@@H]2C3C(CC[C@@]4(C)C3CC[C@@H]4O[Si](C)(C)C(C)(C)C)[C@]3(C)C(C[C@H](OCc4ccccc4)C[C@@H]3OCc3ccccc3)[C@H]2O1.CC1(C)O[C@@H]2C3C(CC[C@]4(C)C(=O)CCC34)[C@]3(C)C(C[C@H](OCc4ccccc4)C[C@@H]3OCc3ccccc3)[C@H]2O1.CCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.[H-].[Na+]
InChIInChI=1S/C42H62O5Si.C38H50O4.C36H48O5.C36H46O5.C35H56O5Si.C35H54O5Si.C20H20BrP.C4H8O.Na.H/c1-39(2,3)48(8,9)47-34-21-20-31-36-32(22-23-41(31,34)6)42(7)33(37-38(36)46-40(4,5)45-37)24-30(43-26-28-16-12-10-13-17-28)25-35(42)44-27-29-18-14-11-15-19-29;1-6-27-17-18-29-33-30(19-20-37(27,29)4)38(5)31(34-35(33)42-36(2,3)41-34)21-28(39-23-25-13-9-7-10-14-25)22-32(38)40-24-26-15-11-8-12-16-26;2*1-34(2)40-32-28-19-25(38-21-23-11-7-5-8-12-23)20-30(39-22-24-13-9-6-10-14-24)36(28,4)27-17-18-35(3)26(15-16-29(35)37)31(27)33(32)41-34;2*1-32(2,3)41(8,9)40-27-16-15-24-29-25(17-18-34(24,27)6)35(7)26(30-31(29)39-33(4,5)38-30)19-23(36)20-28(35)37-21-22-13-11-10-12-14-22;1-2-22(21,18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;1-2-4-5-3-1;;/h10-19,30-38H,20-27H2,1-9H3;6-16,28-35H,17-24H2,1-5H3;5-14,25-33,37H,15-22H2,1-4H3;5-14,25-28,30-33H,15-22H2,1-4H3;10-14,23-31,36H,15-21H2,1-9H3;10-14,24-31H,15-21H2,1-9H3;3-17H,2H2,1H3;1-4H2;;/q;;;;;;;;+1;-1/b;27-6-;;;;;;;;/t30-,31?,32?,33?,34-,35-,36?,37+,38+,41-,42+;28-,29?,30?,31?,32-,33?,34+,35+,37+,38+;25-,26?,27?,28?,29-,30-,31?,32+,33+,35-,36+;25-,26?,27?,28?,30-,31?,32+,33+,35-,36+;23-,24?,25?,26?,27-,28-,29?,30+,31+,34-,35+;24?,25?,26?,27-,28-,29?,30+,31+,34-,35+;;;;/m000000..../s1
InChIKeyGGKUJWQRTRHPOA-BLHKNXMVSA-N
XLogP50.86
TPSA314.58 Ų
H-Bond Donors2
H-Bond Acceptors30
Rotatable Bonds40
Heavy Atoms282
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004000.56
LogP ≤ 550.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1030

Analyze sodium;bromo-ethyl-triphenyl-λ5-phosphane;(2R,6R,9S,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-11-phenylmethoxy-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-ol;(2R,6R,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-11-phenylmethoxy-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-one;tert-butyl-dimethyl-[[(2R,6R,9S,11S,12R,16S,17S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-yl]oxy]silane;(2R,6R,9S,11S,12R,16S,17Z)-17-ethylidene-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane;hydride;oxolane;(2R,6R,9S,11S,12R,16S,17S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-ol;(2R,6R,9S,11S,12R,16S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-one with MolForge

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Launch Full Analysis

Related Compounds

(1S,3S,6R,7R,10R,13S,17Z)-17-ethylidene-10,13-dimethyl-1,3,6,7-tetrakis(phenylmethoxy)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene
CID 58651687
(3R,6R,7R,10R,13S,17Z)-17-ethylidene-10,13-dimethyl-3,6,7-tris(phenylmethoxy)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene
CID 58711008
lithium;(2R,6R,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,11,12,16-pentamethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-one;(2R,6R,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icos-10-en-9-one;carbanide;copper(1+)
CID 161009095
1-[(2R,6R,9S,12R,16S,17S)-9-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-yl]ethanone;tert-butyl-[[(2R,6R,9S,12R,16S,17Z)-17-ethylidene-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-yl]oxy]-dimethylsilane;(2R,6R,9S,12R,16S,17Z)-17-ethylidene-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-ol;(2R,6R,9S,12R,16S,17S)-17-(1-hydroxyethyl)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-ol
CID 161341954
(3R,6R,7R,10R,13S)-10,13-dimethyl-3,6,7-tris(phenylmethoxy)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
CID 58710986
(2R,6R,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icos-7-en-9-one;[(2R,6R,7S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icos-8-en-9-yl] diethyl phosphate;bis(tert-butyl-dimethyl-[[(2R,6R,12R,16S,17S)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icos-8-en-17-yl]oxy]silane);(2R,6R,12R,16S,17S)-17-hydroxy-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icos-7-en-9-one;(2R,6R,12R,16S)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icos-7-ene-9,17-dione;(2R,6R,12R,16S,17S)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icos-8-en-17-ol
CID 161103733
[(1R,2R,6R,7S,9R,12R,13S,16S,17E,20S)-17-ethylidene-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-yl] acetate
CID 11144198
(8R,9R,10S,13S,14S)-17-[tert-butyl(dimethyl)silyl]oxy-7-[3-(3-hydroxyphenyl)propyl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
CID 70127187
(12R,16S)-9,17-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,11,12,16-pentamethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-11-ol
CID 54266103
acetylene;bromo-ethyl-triphenyl-λ5-phosphane;dimethylphosphane;(3R,5S,7R,8R,9S,10S,13S,14S,17Z)-17-ethylidene-3,7,10,13-tetramethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,5S,7R,8R,9S,10S,13S,14S,17S)-17-(1-hydroxyethyl)-3,7,10,13-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5S,7R,8R,9S,10S,13S,14S)-3-hydroxy-3,7,10,13-tetramethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one;1-[(3R,5S,7R,8R,9S,10S,13S,14S,17S)-3-hydroxy-3,7,10,13-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;methane
CID 163678181
CID 158973275
CID 158973275
(8R,9R,10R,13S,14S)-17-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-7-(4-methylphenyl)-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 70144991

Frequently Asked Questions

What is the IUPAC name of sodium;bromo-ethyl-triphenyl-λ5-phosphane;(2R,6R,9S,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-11-phenylmethoxy-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-ol;(2R,6R,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-11-phenylmethoxy-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-one;tert-butyl-dimethyl-[[(2R,6R,9S,11S,12R,16S,17S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-yl]oxy]silane;(2R,6R,9S,11S,12R,16S,17Z)-17-ethylidene-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane;hydride;oxolane;(2R,6R,9S,11S,12R,16S,17S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-ol;(2R,6R,9S,11S,12R,16S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-one?
The IUPAC name of sodium;bromo-ethyl-triphenyl-λ5-phosphane;(2R,6R,9S,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-11-phenylmethoxy-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-ol;(2R,6R,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-11-phenylmethoxy-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-one;tert-butyl-dimethyl-[[(2R,6R,9S,11S,12R,16S,17S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-yl]oxy]silane;(2R,6R,9S,11S,12R,16S,17Z)-17-ethylidene-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane;hydride;oxolane;(2R,6R,9S,11S,12R,16S,17S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-ol;(2R,6R,9S,11S,12R,16S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-one (CID 159394282) is sodium;bromo-ethyl-triphenyl-λ5-phosphane;(2R,6R,9S,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-11-phenylmethoxy-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-ol;(2R,6R,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-11-phenylmethoxy-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-one;tert-butyl-dimethyl-[[(2R,6R,9S,11S,12R,16S,17S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-yl]oxy]silane;(2R,6R,9S,11S,12R,16S,17Z)-17-ethylidene-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane;hydride;oxolane;(2R,6R,9S,11S,12R,16S,17S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-ol;(2R,6R,9S,11S,12R,16S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-one.
What is the SMILES notation for sodium;bromo-ethyl-triphenyl-λ5-phosphane;(2R,6R,9S,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-11-phenylmethoxy-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-ol;(2R,6R,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-11-phenylmethoxy-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-one;tert-butyl-dimethyl-[[(2R,6R,9S,11S,12R,16S,17S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-yl]oxy]silane;(2R,6R,9S,11S,12R,16S,17Z)-17-ethylidene-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane;hydride;oxolane;(2R,6R,9S,11S,12R,16S,17S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-ol;(2R,6R,9S,11S,12R,16S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-one?
The canonical SMILES for sodium;bromo-ethyl-triphenyl-λ5-phosphane;(2R,6R,9S,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-11-phenylmethoxy-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-ol;(2R,6R,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-11-phenylmethoxy-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-one;tert-butyl-dimethyl-[[(2R,6R,9S,11S,12R,16S,17S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-yl]oxy]silane;(2R,6R,9S,11S,12R,16S,17Z)-17-ethylidene-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane;hydride;oxolane;(2R,6R,9S,11S,12R,16S,17S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-ol;(2R,6R,9S,11S,12R,16S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-one is C/C=C1/CCC2C3C(CC[C@]12C)[C@]1(C)C(C[C@H](OCc2ccccc2)C[C@@H]1OCc1ccccc1)[C@H]1OC(C)(C)O[C@H]31.C1CCOC1.CC1(C)O[C@@H]2C3C(CC[C@@]4(C)C3CC[C@@H]4O)[C@]3(C)C(C[C@H](OCc4ccccc4)C[C@@H]3OCc3ccccc3)[C@H]2O1.CC1(C)O[C@@H]2C3C(CC[C@@]4(C)C3CC[C@@H]4O[Si](C)(C)C(C)(C)C)[C@]3(C)C(CC(=O)C[C@@H]3OCc3ccccc3)[C@H]2O1.CC1(C)O[C@@H]2C3C(CC[C@@]4(C)C3CC[C@@H]4O[Si](C)(C)C(C)(C)C)[C@]3(C)C(C[C@H](O)C[C@@H]3OCc3ccccc3)[C@H]2O1.CC1(C)O[C@@H]2C3C(CC[C@@]4(C)C3CC[C@@H]4O[Si](C)(C)C(C)(C)C)[C@]3(C)C(C[C@H](OCc4ccccc4)C[C@@H]3OCc3ccccc3)[C@H]2O1.CC1(C)O[C@@H]2C3C(CC[C@]4(C)C(=O)CCC34)[C@]3(C)C(C[C@H](OCc4ccccc4)C[C@@H]3OCc3ccccc3)[C@H]2O1.CCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.[H-].[Na+].
What is the InChIKey of sodium;bromo-ethyl-triphenyl-λ5-phosphane;(2R,6R,9S,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-11-phenylmethoxy-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-ol;(2R,6R,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-11-phenylmethoxy-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-one;tert-butyl-dimethyl-[[(2R,6R,9S,11S,12R,16S,17S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-yl]oxy]silane;(2R,6R,9S,11S,12R,16S,17Z)-17-ethylidene-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane;hydride;oxolane;(2R,6R,9S,11S,12R,16S,17S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-ol;(2R,6R,9S,11S,12R,16S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-one?
The InChIKey is GGKUJWQRTRHPOA-BLHKNXMVSA-N. The full InChI is InChI=1S/C42H62O5Si.C38H50O4.C36H48O5.C36H46O5.C35H56O5Si.C35H54O5Si.C20H20BrP.C4H8O.Na.H/c1-39(2,3)48(8,9)47-34-21-20-31-36-32(22-23-41(31,34)6)42(7)33(37-38(36)46-40(4,5)45-37)24-30(43-26-28-16-12-10-13-17-28)25-35(42)44-27-29-18-14-11-15-19-29;1-6-27-17-18-29-33-30(19-20-37(27,29)4)38(5)31(34-35(33)42-36(2,3)41-34)21-28(39-23-25-13-9-7-10-14-25)22-32(38)40-24-26-15-11-8-12-16-26;2*1-34(2)40-32-28-19-25(38-21-23-11-7-5-8-12-23)20-30(39-22-24-13-9-6-10-14-24)36(28,4)27-17-18-35(3)26(15-16-29(35)37)31(27)33(32)41-34;2*1-32(2,3)41(8,9)40-27-16-15-24-29-25(17-18-34(24,27)6)35(7)26(30-31(29)39-33(4,5)38-30)19-23(36)20-28(35)37-21-22-13-11-10-12-14-22;1-2-22(21,18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;1-2-4-5-3-1;;/h10-19,30-38H,20-27H2,1-9H3;6-16,28-35H,17-24H2,1-5H3;5-14,25-33,37H,15-22H2,1-4H3;5-14,25-28,30-33H,15-22H2,1-4H3;10-14,23-31,36H,15-21H2,1-9H3;10-14,24-31H,15-21H2,1-9H3;3-17H,2H2,1H3;1-4H2;;/q;;;;;;;;+1;-1/b;27-6-;;;;;;;;/t30-,31?,32?,33?,34-,35-,36?,37+,38+,41-,42+;28-,29?,30?,31?,32-,33?,34+,35+,37+,38+;25-,26?,27?,28?,29-,30-,31?,32+,33+,35-,36+;25-,26?,27?,28?,30-,31?,32+,33+,35-,36+;23-,24?,25?,26?,27-,28-,29?,30+,31+,34-,35+;24?,25?,26?,27-,28-,29?,30+,31+,34-,35+;;;;/m000000..../s1.
What are the key properties of sodium;bromo-ethyl-triphenyl-λ5-phosphane;(2R,6R,9S,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-11-phenylmethoxy-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-ol;(2R,6R,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-11-phenylmethoxy-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-one;tert-butyl-dimethyl-[[(2R,6R,9S,11S,12R,16S,17S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-yl]oxy]silane;(2R,6R,9S,11S,12R,16S,17Z)-17-ethylidene-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane;hydride;oxolane;(2R,6R,9S,11S,12R,16S,17S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-ol;(2R,6R,9S,11S,12R,16S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-one?
sodium;bromo-ethyl-triphenyl-λ5-phosphane;(2R,6R,9S,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-11-phenylmethoxy-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-ol;(2R,6R,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-11-phenylmethoxy-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-one;tert-butyl-dimethyl-[[(2R,6R,9S,11S,12R,16S,17S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-yl]oxy]silane;(2R,6R,9S,11S,12R,16S,17Z)-17-ethylidene-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane;hydride;oxolane;(2R,6R,9S,11S,12R,16S,17S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-ol;(2R,6R,9S,11S,12R,16S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-one has a molecular weight of 4000.56 g/mol, XLogP of 50.86, 40 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;bromo-ethyl-triphenyl-λ5-phosphane;(2R,6R,9S,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-11-phenylmethoxy-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-ol;(2R,6R,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-11-phenylmethoxy-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-one;tert-butyl-dimethyl-[[(2R,6R,9S,11S,12R,16S,17S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-yl]oxy]silane;(2R,6R,9S,11S,12R,16S,17Z)-17-ethylidene-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane;hydride;oxolane;(2R,6R,9S,11S,12R,16S,17S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-ol;(2R,6R,9S,11S,12R,16S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-one is sourced from PubChem (CID 159394282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).