(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

C182H295O28PSi4 — CID 161103733

IUPAC(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
SMILESCC1(C)O[C@@H]2C3=CC(=O)CC[C@]3(C)C3CC[C@@]4(C)C(CC[C@@H]4O)C3[C@H]2O1.CC1(C)O[C@@H]2C3=CC(=O)CC[C@]3(C)C3CC[C@@]4(C)C(CC[C@@H]4O[Si](C)(C)C(C)(C)C)C3[C@H]2O1.CC1(C)O[C@@H]2C3=CC(=O)CC[C@]3(C)C3CC[C@]4(C)C(=O)CCC4C3[C@H]2O1.CC1(C)O[C@@H]2C3C(CC[C@@]4(C)C3CC[C@@H]4O)[C@@]3(C)CCC=CC3[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)CCC=CC3[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)CCC=CC3[C@H]2O1.CCOP(=O)(OCC)OC1=C[C@@H]2[C@H]3OC(C)(C)O[C@@H]3C3C4CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@]4(C)CCC3[C@@]2(C)CC1
InChIInChI=1S/C32H57O7PSi.C28H46O4Si.2C28H48O3Si.C22H32O4.C22H30O4.C22H34O3/c1-12-34-40(33,35-13-2)38-21-16-18-31(8)23-17-19-32(9)22(14-15-25(32)39-41(10,11)29(3,4)5)26(23)28-27(24(31)20-21)36-30(6,7)37-28;1-25(2,3)33(8,9)32-21-11-10-18-22-19(13-15-28(18,21)7)27(6)14-12-17(29)16-20(27)23-24(22)31-26(4,5)30-23;2*1-25(2,3)32(8,9)31-21-14-13-18-22-19(15-17-28(18,21)7)27(6)16-11-10-12-20(27)23-24(22)30-26(4,5)29-23;2*1-20(2)25-18-15-11-12(23)7-9-21(15,3)14-8-10-22(4)13(5-6-16(22)24)17(14)19(18)26-20;1-20(2)24-18-15-7-5-6-11-21(15,3)14-10-12-22(4)13(8-9-16(22)23)17(14)19(18)25-20/h20,22-28H,12-19H2,1-11H3;16,18-19,21-24H,10-15H2,1-9H3;2*10,12,18-24H,11,13-17H2,1-9H3;11,13-14,16-19,24H,5-10H2,1-4H3;11,13-14,17-19H,5-10H2,1-4H3;5,7,13-19,23H,6,8-12H2,1-4H3/t22?,23?,24-,25+,26?,27-,28-,31-,32+;18?,19?,21-,22?,23+,24+,27+,28-;2*18?,19?,20?,21-,22?,23+,24+,27+,28-;13?,14?,16-,17?,18+,19+,21+,22-;13?,14?,17?,18-,19-,21-,22+;13?,14?,15?,16-,17?,18+,19+,21+,22-/m1000010/s1
InChIKeyUITVBHMQRRTOQL-NHNFPVCLSA-N
MW3074.65 g/mol
LogP41.89
Rot. Bonds14

About (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

(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 (PubChem CID 161103733) has the molecular formula C182H295O28PSi4 and a molecular weight of 3074.65 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID161103733
Molecular FormulaC182H295O28PSi4
Molecular Weight3074.65 g/mol
Exact Mass3072.05
IUPAC Name(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
SMILESCC1(C)O[C@@H]2C3=CC(=O)CC[C@]3(C)C3CC[C@@]4(C)C(CC[C@@H]4O)C3[C@H]2O1.CC1(C)O[C@@H]2C3=CC(=O)CC[C@]3(C)C3CC[C@@]4(C)C(CC[C@@H]4O[Si](C)(C)C(C)(C)C)C3[C@H]2O1.CC1(C)O[C@@H]2C3=CC(=O)CC[C@]3(C)C3CC[C@]4(C)C(=O)CCC4C3[C@H]2O1.CC1(C)O[C@@H]2C3C(CC[C@@]4(C)C3CC[C@@H]4O)[C@@]3(C)CCC=CC3[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)CCC=CC3[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)CCC=CC3[C@H]2O1.CCOP(=O)(OCC)OC1=C[C@@H]2[C@H]3OC(C)(C)O[C@@H]3C3C4CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@]4(C)CCC3[C@@]2(C)CC1
InChIInChI=1S/C32H57O7PSi.C28H46O4Si.2C28H48O3Si.C22H32O4.C22H30O4.C22H34O3/c1-12-34-40(33,35-13-2)38-21-16-18-31(8)23-17-19-32(9)22(14-15-25(32)39-41(10,11)29(3,4)5)26(23)28-27(24(31)20-21)36-30(6,7)37-28;1-25(2,3)33(8,9)32-21-11-10-18-22-19(13-15-28(18,21)7)27(6)14-12-17(29)16-20(27)23-24(22)31-26(4,5)30-23;2*1-25(2,3)32(8,9)31-21-14-13-18-22-19(15-17-28(18,21)7)27(6)16-11-10-12-20(27)23-24(22)30-26(4,5)29-23;2*1-20(2)25-18-15-11-12(23)7-9-21(15,3)14-8-10-22(4)13(5-6-16(22)24)17(14)19(18)26-20;1-20(2)24-18-15-7-5-6-11-21(15,3)14-10-12-22(4)13(8-9-16(22)23)17(14)19(18)25-20/h20,22-28H,12-19H2,1-11H3;16,18-19,21-24H,10-15H2,1-9H3;2*10,12,18-24H,11,13-17H2,1-9H3;11,13-14,16-19,24H,5-10H2,1-4H3;11,13-14,17-19H,5-10H2,1-4H3;5,7,13-19,23H,6,8-12H2,1-4H3/t22?,23?,24-,25+,26?,27-,28-,31-,32+;18?,19?,21-,22?,23+,24+,27+,28-;2*18?,19?,20?,21-,22?,23+,24+,27+,28-;13?,14?,16-,17?,18+,19+,21+,22-;13?,14?,17?,18-,19-,21-,22+;13?,14?,15?,16-,17?,18+,19+,21+,22-/m1000010/s1
InChIKeyUITVBHMQRRTOQL-NHNFPVCLSA-N
XLogP41.89
TPSA319.64 Ų
H-Bond Donors2
H-Bond Acceptors28
Rotatable Bonds14
Heavy Atoms215
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003074.65
LogP ≤ 541.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1028

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC1(C)O[C@@H]2C3=CC(=O)CC[C@]3(C)C3CC[C@@]4(C)C(CC[C@@H]4O)C3[C@H]2O1.CC1(C)O[C@@H]2C3=CC(=O)CC[C@]3(C)C3CC[C@@]4(C)C(CC[C@@H]4O[Si](C)(C)C(C)(C)C)C3[C@H]2O1.CC1(C)O[C@@H]2C3=CC(=O)CC[C@]3(C)C3CC[C@]4(C)C(=O)CCC4C3[C@H]2O1.CC1(C)O[C@@H]2C3C(CC[C@@]4(C)C3CC[C@@H]4O)[C@@]3(C)CCC=CC3[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)CCC=CC3[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)CCC=CC3[C@H]2O1.CCOP(=O)(OCC)OC1=C[C@@H]2[C@H]3OC(C)(C)O[C@@H]3C3C4CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@]4(C)CCC3[C@@]2(C)CC1.
What is the InChIKey of (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?
The InChIKey is UITVBHMQRRTOQL-NHNFPVCLSA-N. The full InChI is InChI=1S/C32H57O7PSi.C28H46O4Si.2C28H48O3Si.C22H32O4.C22H30O4.C22H34O3/c1-12-34-40(33,35-13-2)38-21-16-18-31(8)23-17-19-32(9)22(14-15-25(32)39-41(10,11)29(3,4)5)26(23)28-27(24(31)20-21)36-30(6,7)37-28;1-25(2,3)33(8,9)32-21-11-10-18-22-19(13-15-28(18,21)7)27(6)14-12-17(29)16-20(27)23-24(22)31-26(4,5)30-23;2*1-25(2,3)32(8,9)31-21-14-13-18-22-19(15-17-28(18,21)7)27(6)16-11-10-12-20(27)23-24(22)30-26(4,5)29-23;2*1-20(2)25-18-15-11-12(23)7-9-21(15,3)14-8-10-22(4)13(5-6-16(22)24)17(14)19(18)26-20;1-20(2)24-18-15-7-5-6-11-21(15,3)14-10-12-22(4)13(8-9-16(22)23)17(14)19(18)25-20/h20,22-28H,12-19H2,1-11H3;16,18-19,21-24H,10-15H2,1-9H3;2*10,12,18-24H,11,13-17H2,1-9H3;11,13-14,16-19,24H,5-10H2,1-4H3;11,13-14,17-19H,5-10H2,1-4H3;5,7,13-19,23H,6,8-12H2,1-4H3/t22?,23?,24-,25+,26?,27-,28-,31-,32+;18?,19?,21-,22?,23+,24+,27+,28-;2*18?,19?,20?,21-,22?,23+,24+,27+,28-;13?,14?,16-,17?,18+,19+,21+,22-;13?,14?,17?,18-,19-,21-,22+;13?,14?,15?,16-,17?,18+,19+,21+,22-/m1000010/s1.
What are the key properties of (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?
(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 has a molecular weight of 3074.65 g/mol, XLogP of 41.89, 14 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 161103733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).