(3S,4E,6R,7S,8S,9S,10E)-1-dimethoxyphosphoryl-9-methoxy-8-(methoxymethoxy)-3,5,7-trimethyl-6-triethylsilyloxypentadeca-4,10,14-trien-2-one;2-(2,6-dioxopiperidin-4-yl)acetaldehyde;[(5S,6E,8R,9R,10S,11S,12E)-1-(2,6-dioxopiperidin-4-yl)-11-methoxy-10-(methoxymethoxy)-5,7,9-trimethyl-4-oxoheptadeca-6,12,16-trien-8-yl] prop-2-enoate;4-[(5S,6E,8R,9R,10S,11S,12E)-8-hydroxy-11-methoxy-10-(methoxymethoxy)-5,7,9-trimethyl-4-oxoheptadeca-6,12,16-trienyl]piperidine-2,6-dione;4-[(2E,5S,6E,8R,9S,10S,11S,12E)-11-methoxy-10-(methoxymethoxy)-5,7,9-trimethyl-4-oxo-8-triethylsilyloxyheptadeca-2,6,12,16-tetraenyl]piperidine-2,6-dione;(2S,3E,5R,6R,7S,8S,9E)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyltetradeca-3,9,13-triene-1,5-diol;(2S,3E,5R,6S,7S,8S,9E)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxytetradeca-3,9,13-trien-1-ol;prop-2-enoyl chloride

C178H302ClN4O44PSi3 — CID 158902458

IUPAC(3S,4E,6R,7S,8S,9S,10E)-1-dimethoxyphosphoryl-9-methoxy-8-(methoxymethoxy)-3,5,7-trimethyl-6-triethylsilyloxypentadeca-4,10,14-trien-2-one;2-(2,6-dioxopiperidin-4-yl)acetaldehyde;[(5S,6E,8R,9R,10S,11S,12E)-1-(2,6-dioxopiperidin-4-yl)-11-methoxy-10-(methoxymethoxy)-5,7,9-trimethyl-4-oxoheptadeca-6,12,16-trien-8-yl] prop-2-enoate;4-[(5S,6E,8R,9R,10S,11S,12E)-8-hydroxy-11-methoxy-10-(methoxymethoxy)-5,7,9-trimethyl-4-oxoheptadeca-6,12,16-trienyl]piperidine-2,6-dione;4-[(2E,5S,6E,8R,9S,10S,11S,12E)-11-methoxy-10-(methoxymethoxy)-5,7,9-trimethyl-4-oxo-8-triethylsilyloxyheptadeca-2,6,12,16-tetraenyl]piperidine-2,6-dione;(2S,3E,5R,6R,7S,8S,9E)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyltetradeca-3,9,13-triene-1,5-diol;(2S,3E,5R,6S,7S,8S,9E)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxytetradeca-3,9,13-trien-1-ol;prop-2-enoyl chloride
SMILESC=CC(=O)Cl.C=CCC/C=C/[C@H](OC)[C@@H](OCOC)[C@H](C)[C@@H](O)/C(C)=C/[C@H](C)C(=O)CCCC1CC(=O)NC(=O)C1.C=CCC/C=C/[C@H](OC)[C@@H](OCOC)[C@H](C)[C@@H](O)/C(C)=C/[C@H](C)CO.C=CCC/C=C/[C@H](OC)[C@@H](OCOC)[C@H](C)[C@@H](OC(=O)C=C)/C(C)=C/[C@H](C)C(=O)CCCC1CC(=O)NC(=O)C1.C=CCC/C=C/[C@H](OC)[C@@H](OCOC)[C@H](C)[C@@H](O[Si](CC)(CC)CC)/C(C)=C/[C@H](C)C(=O)/C=C/CC1CC(=O)NC(=O)C1.C=CCC/C=C/[C@H](OC)[C@@H](OCOC)[C@H](C)[C@@H](O[Si](CC)(CC)CC)/C(C)=C/[C@H](C)C(=O)CP(=O)(OC)OC.C=CCC/C=C/[C@H](OC)[C@@H](OCOC)[C@H](C)[C@@H](O[Si](CC)(CC)CC)/C(C)=C/[C@H](C)CO.O=CCC1CC(=O)NC(=O)C1
InChIInChI=1S/C34H57NO7Si.C31H47NO8.C29H55O8PSi.C28H45NO7.C26H50O5Si.C20H36O5.C7H9NO3.C3H3ClO/c1-10-14-15-16-20-30(40-9)34(41-24-39-8)27(7)33(42-43(11-2,12-3)13-4)26(6)21-25(5)29(36)19-17-18-28-22-31(37)35-32(38)23-28;1-8-10-11-12-16-26(38-7)31(39-20-37-6)23(5)30(40-29(36)9-2)22(4)17-21(3)25(33)15-13-14-24-18-27(34)32-28(35)19-24;1-12-16-17-18-19-27(33-9)29(36-22-32-8)25(7)28(37-39(13-2,14-3)15-4)24(6)20-23(5)26(30)21-38(31,34-10)35-11;1-7-8-9-10-14-24(35-6)28(36-18-34-5)21(4)27(33)20(3)15-19(2)23(30)13-11-12-22-16-25(31)29-26(32)17-22;1-10-14-15-16-17-24(29-9)26(30-20-28-8)23(7)25(22(6)18-21(5)19-27)31-32(11-2,12-3)13-4;1-7-8-9-10-11-18(24-6)20(25-14-23-5)17(4)19(22)16(3)12-15(2)13-21;9-2-1-5-3-6(10)8-7(11)4-5;1-2-3(4)5/h10,16-17,19-21,25,27-28,30,33-34H,1,11-15,18,22-24H2,2-9H3,(H,35,37,38);8-9,12,16-17,21,23-24,26,30-31H,1-2,10-11,13-15,18-20H2,3-7H3,(H,32,34,35);12,18-20,23,25,27-29H,1,13-17,21-22H2,2-11H3;7,10,14-15,19,21-22,24,27-28,33H,1,8-9,11-13,16-18H2,2-6H3,(H,29,31,32);10,16-18,21,23-27H,1,11-15,19-20H2,2-9H3;7,10-12,15,17-22H,1,8-9,13-14H2,2-6H3;2,5H,1,3-4H2,(H,8,10,11);2H,1H2/b19-17+,20-16+,26-21+;16-12+,22-17+;19-18+,24-20+;14-10+,20-15+;17-16+,22-18+;11-10+,16-12+;;/t25-,27+,30-,33-,34-;21-,23+,26-,30-,31-;23-,25+,27-,28-,29-;19-,21+,24-,27-,28-;21-,23+,24-,25-,26-;15-,17+,18-,19-,20-;;/m000000../s1
InChIKeyJFPRZJWPUUQPGJ-FZRVWYEHSA-N
MW3353.04 g/mol
LogP32.14
Rot. Bonds119

About (3S,4E,6R,7S,8S,9S,10E)-1-dimethoxyphosphoryl-9-methoxy-8-(methoxymethoxy)-3,5,7-trimethyl-6-triethylsilyloxypentadeca-4,10,14-trien-2-one;2-(2,6-dioxopiperidin-4-yl)acetaldehyde;[(5S,6E,8R,9R,10S,11S,12E)-1-(2,6-dioxopiperidin-4-yl)-11-methoxy-10-(methoxymethoxy)-5,7,9-trimethyl-4-oxoheptadeca-6,12,16-trien-8-yl] prop-2-enoate;4-[(5S,6E,8R,9R,10S,11S,12E)-8-hydroxy-11-methoxy-10-(methoxymethoxy)-5,7,9-trimethyl-4-oxoheptadeca-6,12,16-trienyl]piperidine-2,6-dione;4-[(2E,5S,6E,8R,9S,10S,11S,12E)-11-methoxy-10-(methoxymethoxy)-5,7,9-trimethyl-4-oxo-8-triethylsilyloxyheptadeca-2,6,12,16-tetraenyl]piperidine-2,6-dione;(2S,3E,5R,6R,7S,8S,9E)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyltetradeca-3,9,13-triene-1,5-diol;(2S,3E,5R,6S,7S,8S,9E)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxytetradeca-3,9,13-trien-1-ol;prop-2-enoyl chloride

(3S,4E,6R,7S,8S,9S,10E)-1-dimethoxyphosphoryl-9-methoxy-8-(methoxymethoxy)-3,5,7-trimethyl-6-triethylsilyloxypentadeca-4,10,14-trien-2-one;2-(2,6-dioxopiperidin-4-yl)acetaldehyde;[(5S,6E,8R,9R,10S,11S,12E)-1-(2,6-dioxopiperidin-4-yl)-11-methoxy-10-(methoxymethoxy)-5,7,9-trimethyl-4-oxoheptadeca-6,12,16-trien-8-yl] prop-2-enoate;4-[(5S,6E,8R,9R,10S,11S,12E)-8-hydroxy-11-methoxy-10-(methoxymethoxy)-5,7,9-trimethyl-4-oxoheptadeca-6,12,16-trienyl]piperidine-2,6-dione;4-[(2E,5S,6E,8R,9S,10S,11S,12E)-11-methoxy-10-(methoxymethoxy)-5,7,9-trimethyl-4-oxo-8-triethylsilyloxyheptadeca-2,6,12,16-tetraenyl]piperidine-2,6-dione;(2S,3E,5R,6R,7S,8S,9E)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyltetradeca-3,9,13-triene-1,5-diol;(2S,3E,5R,6S,7S,8S,9E)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxytetradeca-3,9,13-trien-1-ol;prop-2-enoyl chloride (PubChem CID 158902458) has the molecular formula C178H302ClN4O44PSi3 and a molecular weight of 3353.04 g/mol. Its IUPAC name is (3S,4E,6R,7S,8S,9S,10E)-1-dimethoxyphosphoryl-9-methoxy-8-(methoxymethoxy)-3,5,7-trimethyl-6-triethylsilyloxypentadeca-4,10,14-trien-2-one;2-(2,6-dioxopiperidin-4-yl)acetaldehyde;[(5S,6E,8R,9R,10S,11S,12E)-1-(2,6-dioxopiperidin-4-yl)-11-methoxy-10-(methoxymethoxy)-5,7,9-trimethyl-4-oxoheptadeca-6,12,16-trien-8-yl] prop-2-enoate;4-[(5S,6E,8R,9R,10S,11S,12E)-8-hydroxy-11-methoxy-10-(methoxymethoxy)-5,7,9-trimethyl-4-oxoheptadeca-6,12,16-trienyl]piperidine-2,6-dione;4-[(2E,5S,6E,8R,9S,10S,11S,12E)-11-methoxy-10-(methoxymethoxy)-5,7,9-trimethyl-4-oxo-8-triethylsilyloxyheptadeca-2,6,12,16-tetraenyl]piperidine-2,6-dione;(2S,3E,5R,6R,7S,8S,9E)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyltetradeca-3,9,13-triene-1,5-diol;(2S,3E,5R,6S,7S,8S,9E)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxytetradeca-3,9,13-trien-1-ol;prop-2-enoyl chloride.

Molecular Properties

Compound Name(3S,4E,6R,7S,8S,9S,10E)-1-dimethoxyphosphoryl-9-methoxy-8-(methoxymethoxy)-3,5,7-trimethyl-6-triethylsilyloxypentadeca-4,10,14-trien-2-one;2-(2,6-dioxopiperidin-4-yl)acetaldehyde;[(5S,6E,8R,9R,10S,11S,12E)-1-(2,6-dioxopiperidin-4-yl)-11-methoxy-10-(methoxymethoxy)-5,7,9-trimethyl-4-oxoheptadeca-6,12,16-trien-8-yl] prop-2-enoate;4-[(5S,6E,8R,9R,10S,11S,12E)-8-hydroxy-11-methoxy-10-(methoxymethoxy)-5,7,9-trimethyl-4-oxoheptadeca-6,12,16-trienyl]piperidine-2,6-dione;4-[(2E,5S,6E,8R,9S,10S,11S,12E)-11-methoxy-10-(methoxymethoxy)-5,7,9-trimethyl-4-oxo-8-triethylsilyloxyheptadeca-2,6,12,16-tetraenyl]piperidine-2,6-dione;(2S,3E,5R,6R,7S,8S,9E)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyltetradeca-3,9,13-triene-1,5-diol;(2S,3E,5R,6S,7S,8S,9E)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxytetradeca-3,9,13-trien-1-ol;prop-2-enoyl chloride
PubChem CID158902458
Molecular FormulaC178H302ClN4O44PSi3
Molecular Weight3353.04 g/mol
Exact Mass3350.03
IUPAC Name(3S,4E,6R,7S,8S,9S,10E)-1-dimethoxyphosphoryl-9-methoxy-8-(methoxymethoxy)-3,5,7-trimethyl-6-triethylsilyloxypentadeca-4,10,14-trien-2-one;2-(2,6-dioxopiperidin-4-yl)acetaldehyde;[(5S,6E,8R,9R,10S,11S,12E)-1-(2,6-dioxopiperidin-4-yl)-11-methoxy-10-(methoxymethoxy)-5,7,9-trimethyl-4-oxoheptadeca-6,12,16-trien-8-yl] prop-2-enoate;4-[(5S,6E,8R,9R,10S,11S,12E)-8-hydroxy-11-methoxy-10-(methoxymethoxy)-5,7,9-trimethyl-4-oxoheptadeca-6,12,16-trienyl]piperidine-2,6-dione;4-[(2E,5S,6E,8R,9S,10S,11S,12E)-11-methoxy-10-(methoxymethoxy)-5,7,9-trimethyl-4-oxo-8-triethylsilyloxyheptadeca-2,6,12,16-tetraenyl]piperidine-2,6-dione;(2S,3E,5R,6R,7S,8S,9E)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyltetradeca-3,9,13-triene-1,5-diol;(2S,3E,5R,6S,7S,8S,9E)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxytetradeca-3,9,13-trien-1-ol;prop-2-enoyl chloride
SMILESC=CC(=O)Cl.C=CCC/C=C/[C@H](OC)[C@@H](OCOC)[C@H](C)[C@@H](O)/C(C)=C/[C@H](C)C(=O)CCCC1CC(=O)NC(=O)C1.C=CCC/C=C/[C@H](OC)[C@@H](OCOC)[C@H](C)[C@@H](O)/C(C)=C/[C@H](C)CO.C=CCC/C=C/[C@H](OC)[C@@H](OCOC)[C@H](C)[C@@H](OC(=O)C=C)/C(C)=C/[C@H](C)C(=O)CCCC1CC(=O)NC(=O)C1.C=CCC/C=C/[C@H](OC)[C@@H](OCOC)[C@H](C)[C@@H](O[Si](CC)(CC)CC)/C(C)=C/[C@H](C)C(=O)/C=C/CC1CC(=O)NC(=O)C1.C=CCC/C=C/[C@H](OC)[C@@H](OCOC)[C@H](C)[C@@H](O[Si](CC)(CC)CC)/C(C)=C/[C@H](C)C(=O)CP(=O)(OC)OC.C=CCC/C=C/[C@H](OC)[C@@H](OCOC)[C@H](C)[C@@H](O[Si](CC)(CC)CC)/C(C)=C/[C@H](C)CO.O=CCC1CC(=O)NC(=O)C1
InChIInChI=1S/C34H57NO7Si.C31H47NO8.C29H55O8PSi.C28H45NO7.C26H50O5Si.C20H36O5.C7H9NO3.C3H3ClO/c1-10-14-15-16-20-30(40-9)34(41-24-39-8)27(7)33(42-43(11-2,12-3)13-4)26(6)21-25(5)29(36)19-17-18-28-22-31(37)35-32(38)23-28;1-8-10-11-12-16-26(38-7)31(39-20-37-6)23(5)30(40-29(36)9-2)22(4)17-21(3)25(33)15-13-14-24-18-27(34)32-28(35)19-24;1-12-16-17-18-19-27(33-9)29(36-22-32-8)25(7)28(37-39(13-2,14-3)15-4)24(6)20-23(5)26(30)21-38(31,34-10)35-11;1-7-8-9-10-14-24(35-6)28(36-18-34-5)21(4)27(33)20(3)15-19(2)23(30)13-11-12-22-16-25(31)29-26(32)17-22;1-10-14-15-16-17-24(29-9)26(30-20-28-8)23(7)25(22(6)18-21(5)19-27)31-32(11-2,12-3)13-4;1-7-8-9-10-11-18(24-6)20(25-14-23-5)17(4)19(22)16(3)12-15(2)13-21;9-2-1-5-3-6(10)8-7(11)4-5;1-2-3(4)5/h10,16-17,19-21,25,27-28,30,33-34H,1,11-15,18,22-24H2,2-9H3,(H,35,37,38);8-9,12,16-17,21,23-24,26,30-31H,1-2,10-11,13-15,18-20H2,3-7H3,(H,32,34,35);12,18-20,23,25,27-29H,1,13-17,21-22H2,2-11H3;7,10,14-15,19,21-22,24,27-28,33H,1,8-9,11-13,16-18H2,2-6H3,(H,29,31,32);10,16-18,21,23-27H,1,11-15,19-20H2,2-9H3;7,10-12,15,17-22H,1,8-9,13-14H2,2-6H3;2,5H,1,3-4H2,(H,8,10,11);2H,1H2/b19-17+,20-16+,26-21+;16-12+,22-17+;19-18+,24-20+;14-10+,20-15+;17-16+,22-18+;11-10+,16-12+;;/t25-,27+,30-,33-,34-;21-,23+,26-,30-,31-;23-,25+,27-,28-,29-;19-,21+,24-,27-,28-;21-,23+,24-,25-,26-;15-,17+,18-,19-,20-;;/m000000../s1
InChIKeyJFPRZJWPUUQPGJ-FZRVWYEHSA-N
XLogP32.14
TPSA623.68 Ų
H-Bond Donors8
H-Bond Acceptors44
Rotatable Bonds119
Heavy Atoms231
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003353.04
LogP ≤ 532.14
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1044

Analyze (3S,4E,6R,7S,8S,9S,10E)-1-dimethoxyphosphoryl-9-methoxy-8-(methoxymethoxy)-3,5,7-trimethyl-6-triethylsilyloxypentadeca-4,10,14-trien-2-one;2-(2,6-dioxopiperidin-4-yl)acetaldehyde;[(5S,6E,8R,9R,10S,11S,12E)-1-(2,6-dioxopiperidin-4-yl)-11-methoxy-10-(methoxymethoxy)-5,7,9-trimethyl-4-oxoheptadeca-6,12,16-trien-8-yl] prop-2-enoate;4-[(5S,6E,8R,9R,10S,11S,12E)-8-hydroxy-11-methoxy-10-(methoxymethoxy)-5,7,9-trimethyl-4-oxoheptadeca-6,12,16-trienyl]piperidine-2,6-dione;4-[(2E,5S,6E,8R,9S,10S,11S,12E)-11-methoxy-10-(methoxymethoxy)-5,7,9-trimethyl-4-oxo-8-triethylsilyloxyheptadeca-2,6,12,16-tetraenyl]piperidine-2,6-dione;(2S,3E,5R,6R,7S,8S,9E)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyltetradeca-3,9,13-triene-1,5-diol;(2S,3E,5R,6S,7S,8S,9E)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxytetradeca-3,9,13-trien-1-ol;prop-2-enoyl chloride with MolForge

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Launch Full Analysis

Related Compounds

(2E,6E,8R,9S,10S,11S,12E,14S)-18-(2,6-dioxopiperidin-4-yl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxooctadeca-2,6,12-trienoic acid
CID 163004162
(2E,6E,8R,9S,10R,11S,12E,14R)-18-(2,6-dioxopiperidin-4-yl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxooctadeca-2,6,12-trienoic acid
CID 51693394
(4R)-4-benzyl-3-[(2S,3R,4Z,6R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-2,3,4,6-tetramethyldeca-4,9-dienoyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-propanoyl-1,3-oxazolidin-2-one;(3S,4R,5Z,7R,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-1-dimethoxyphosphoryl-9-methoxy-3,4,5,7-tetramethylundeca-5,10-dien-2-one;(2Z,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethylocta-2,7-dienal;(2S,3R,4Z,6R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-2,3,4,6-tetramethyldeca-4,9-dienoic acid;4-[(5S,6R,7Z,9R,10S,11S)-10-[tert-butyl(dimethyl)silyl]oxy-11-methoxy-5,6,7,9-tetramethyl-4-oxotrideca-7,12-dienyl]piperidine-2,6-dione;2-(2,6-dioxopiperidin-4-yl)acetaldehyde
CID 157221377
(E)-3-[(2S,3R)-3-[(2S,3S,4S,5E)-4-methoxy-3-(methoxymethoxy)deca-5,9-dien-2-yl]-2-methyloxiran-2-yl]prop-2-en-1-ol;(3R,4E,6R,7R,8S,9S,10E)-9-methoxy-8-(methoxymethoxy)-3,5,7-trimethylpentadeca-4,10,14-trien-6-ol
CID 160787935
[(5S,9R,10S,11S)-10-[tert-butyl(dimethyl)silyl]oxy-1-(2,6-dioxopiperidin-4-yl)-11-methoxy-5,7,9-trimethyl-4-oxotrideca-7,12-dien-6-yl] hepta-3,6-dienoate
CID 91323355
[(Z,6R,9S)-1-(2,6-dioxopiperidin-4-yl)-11-hydroxy-7,9-dimethyl-4-oxotridec-7-en-12-yn-6-yl] hept-6-enoate
CID 142948672
19-(2-amino-2-oxoethyl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxohenicosa-2,6,12-trienedioic acid
CID 156602882
2-amino-3-[[(7E)-12-[(E)-8-(2,6-dioxopiperidin-4-yl)-7-hydroxy-4-methyl-5-oxooct-2-en-2-yl]-10-hydroxy-9-methoxy-11-methyl-2-oxo-1-oxacyclododec-7-en-4-yl]sulfanyl]propanoic acid;(2E,6E,11E)-18-(2,6-dioxopiperidin-4-yl)-9,13-dihydroxy-8-methoxy-12,14-dimethyl-15-oxooctadeca-2,6,11-trienoic acid;(2E,6E,12E)-18-(2,6-dioxopiperidin-4-yl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxooctadeca-2,6,12-trienoic acid;4-[(E)-7-[(6E,10E)-4-hydroxy-5-methoxy-3-methyl-12-oxo-1-oxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxooct-6-enyl]piperidine-2,6-dione;4-[(5S)-5-[(3Z,6S,7S,8E,12E)-6-hydroxy-7-methoxy-3-methyl-14-oxo-1-oxacyclotetradeca-3,8,12-trien-2-yl]-4-oxohexyl]piperidine-2,6-dione;4-[(E)-2-hydroxy-5-methyl-7-[(4Z,6E,10E)-3-methyl-12-oxo-1-oxacyclododeca-4,6,10-trien-2-yl]-4-oxooct-6-enyl]piperidine-2,6-dione
CID 158709899
4-[(E,5S)-7-[(2R,3S,4S,5S,6E)-4-hydroxy-5-methoxy-3-methyl-12-oxo-1-oxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxooct-6-enyl]piperidine-2,6-dione
CID 163988829
4-[(E,5S)-7-[(2S,3R,4S,5S,6E,10E)-4-hydroxy-5-methoxy-3-methyl-12-oxo-1-oxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxooct-6-enyl]piperidine-2,6-dione
CID 162992701
4-[(E)-7-[(6E)-4-hydroxy-5-methoxy-3,10-dimethyl-12-oxo-1-oxacyclododec-6-en-2-yl]-5-methyl-4-oxooct-6-enyl]piperidine-2,6-dione
CID 90429382
4-[(E,5S)-7-[(2R,3S,4S,5S,6E,10E)-4,5-dihydroxy-3-methyl-12-oxo-1-oxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxooct-6-enyl]piperidine-2,6-dione
CID 134827945

Frequently Asked Questions

What is the IUPAC name of (3S,4E,6R,7S,8S,9S,10E)-1-dimethoxyphosphoryl-9-methoxy-8-(methoxymethoxy)-3,5,7-trimethyl-6-triethylsilyloxypentadeca-4,10,14-trien-2-one;2-(2,6-dioxopiperidin-4-yl)acetaldehyde;[(5S,6E,8R,9R,10S,11S,12E)-1-(2,6-dioxopiperidin-4-yl)-11-methoxy-10-(methoxymethoxy)-5,7,9-trimethyl-4-oxoheptadeca-6,12,16-trien-8-yl] prop-2-enoate;4-[(5S,6E,8R,9R,10S,11S,12E)-8-hydroxy-11-methoxy-10-(methoxymethoxy)-5,7,9-trimethyl-4-oxoheptadeca-6,12,16-trienyl]piperidine-2,6-dione;4-[(2E,5S,6E,8R,9S,10S,11S,12E)-11-methoxy-10-(methoxymethoxy)-5,7,9-trimethyl-4-oxo-8-triethylsilyloxyheptadeca-2,6,12,16-tetraenyl]piperidine-2,6-dione;(2S,3E,5R,6R,7S,8S,9E)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyltetradeca-3,9,13-triene-1,5-diol;(2S,3E,5R,6S,7S,8S,9E)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxytetradeca-3,9,13-trien-1-ol;prop-2-enoyl chloride?
The IUPAC name of (3S,4E,6R,7S,8S,9S,10E)-1-dimethoxyphosphoryl-9-methoxy-8-(methoxymethoxy)-3,5,7-trimethyl-6-triethylsilyloxypentadeca-4,10,14-trien-2-one;2-(2,6-dioxopiperidin-4-yl)acetaldehyde;[(5S,6E,8R,9R,10S,11S,12E)-1-(2,6-dioxopiperidin-4-yl)-11-methoxy-10-(methoxymethoxy)-5,7,9-trimethyl-4-oxoheptadeca-6,12,16-trien-8-yl] prop-2-enoate;4-[(5S,6E,8R,9R,10S,11S,12E)-8-hydroxy-11-methoxy-10-(methoxymethoxy)-5,7,9-trimethyl-4-oxoheptadeca-6,12,16-trienyl]piperidine-2,6-dione;4-[(2E,5S,6E,8R,9S,10S,11S,12E)-11-methoxy-10-(methoxymethoxy)-5,7,9-trimethyl-4-oxo-8-triethylsilyloxyheptadeca-2,6,12,16-tetraenyl]piperidine-2,6-dione;(2S,3E,5R,6R,7S,8S,9E)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyltetradeca-3,9,13-triene-1,5-diol;(2S,3E,5R,6S,7S,8S,9E)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxytetradeca-3,9,13-trien-1-ol;prop-2-enoyl chloride (CID 158902458) is (3S,4E,6R,7S,8S,9S,10E)-1-dimethoxyphosphoryl-9-methoxy-8-(methoxymethoxy)-3,5,7-trimethyl-6-triethylsilyloxypentadeca-4,10,14-trien-2-one;2-(2,6-dioxopiperidin-4-yl)acetaldehyde;[(5S,6E,8R,9R,10S,11S,12E)-1-(2,6-dioxopiperidin-4-yl)-11-methoxy-10-(methoxymethoxy)-5,7,9-trimethyl-4-oxoheptadeca-6,12,16-trien-8-yl] prop-2-enoate;4-[(5S,6E,8R,9R,10S,11S,12E)-8-hydroxy-11-methoxy-10-(methoxymethoxy)-5,7,9-trimethyl-4-oxoheptadeca-6,12,16-trienyl]piperidine-2,6-dione;4-[(2E,5S,6E,8R,9S,10S,11S,12E)-11-methoxy-10-(methoxymethoxy)-5,7,9-trimethyl-4-oxo-8-triethylsilyloxyheptadeca-2,6,12,16-tetraenyl]piperidine-2,6-dione;(2S,3E,5R,6R,7S,8S,9E)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyltetradeca-3,9,13-triene-1,5-diol;(2S,3E,5R,6S,7S,8S,9E)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxytetradeca-3,9,13-trien-1-ol;prop-2-enoyl chloride.
What is the SMILES notation for (3S,4E,6R,7S,8S,9S,10E)-1-dimethoxyphosphoryl-9-methoxy-8-(methoxymethoxy)-3,5,7-trimethyl-6-triethylsilyloxypentadeca-4,10,14-trien-2-one;2-(2,6-dioxopiperidin-4-yl)acetaldehyde;[(5S,6E,8R,9R,10S,11S,12E)-1-(2,6-dioxopiperidin-4-yl)-11-methoxy-10-(methoxymethoxy)-5,7,9-trimethyl-4-oxoheptadeca-6,12,16-trien-8-yl] prop-2-enoate;4-[(5S,6E,8R,9R,10S,11S,12E)-8-hydroxy-11-methoxy-10-(methoxymethoxy)-5,7,9-trimethyl-4-oxoheptadeca-6,12,16-trienyl]piperidine-2,6-dione;4-[(2E,5S,6E,8R,9S,10S,11S,12E)-11-methoxy-10-(methoxymethoxy)-5,7,9-trimethyl-4-oxo-8-triethylsilyloxyheptadeca-2,6,12,16-tetraenyl]piperidine-2,6-dione;(2S,3E,5R,6R,7S,8S,9E)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyltetradeca-3,9,13-triene-1,5-diol;(2S,3E,5R,6S,7S,8S,9E)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxytetradeca-3,9,13-trien-1-ol;prop-2-enoyl chloride?
The canonical SMILES for (3S,4E,6R,7S,8S,9S,10E)-1-dimethoxyphosphoryl-9-methoxy-8-(methoxymethoxy)-3,5,7-trimethyl-6-triethylsilyloxypentadeca-4,10,14-trien-2-one;2-(2,6-dioxopiperidin-4-yl)acetaldehyde;[(5S,6E,8R,9R,10S,11S,12E)-1-(2,6-dioxopiperidin-4-yl)-11-methoxy-10-(methoxymethoxy)-5,7,9-trimethyl-4-oxoheptadeca-6,12,16-trien-8-yl] prop-2-enoate;4-[(5S,6E,8R,9R,10S,11S,12E)-8-hydroxy-11-methoxy-10-(methoxymethoxy)-5,7,9-trimethyl-4-oxoheptadeca-6,12,16-trienyl]piperidine-2,6-dione;4-[(2E,5S,6E,8R,9S,10S,11S,12E)-11-methoxy-10-(methoxymethoxy)-5,7,9-trimethyl-4-oxo-8-triethylsilyloxyheptadeca-2,6,12,16-tetraenyl]piperidine-2,6-dione;(2S,3E,5R,6R,7S,8S,9E)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyltetradeca-3,9,13-triene-1,5-diol;(2S,3E,5R,6S,7S,8S,9E)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxytetradeca-3,9,13-trien-1-ol;prop-2-enoyl chloride is C=CC(=O)Cl.C=CCC/C=C/[C@H](OC)[C@@H](OCOC)[C@H](C)[C@@H](O)/C(C)=C/[C@H](C)C(=O)CCCC1CC(=O)NC(=O)C1.C=CCC/C=C/[C@H](OC)[C@@H](OCOC)[C@H](C)[C@@H](O)/C(C)=C/[C@H](C)CO.C=CCC/C=C/[C@H](OC)[C@@H](OCOC)[C@H](C)[C@@H](OC(=O)C=C)/C(C)=C/[C@H](C)C(=O)CCCC1CC(=O)NC(=O)C1.C=CCC/C=C/[C@H](OC)[C@@H](OCOC)[C@H](C)[C@@H](O[Si](CC)(CC)CC)/C(C)=C/[C@H](C)C(=O)/C=C/CC1CC(=O)NC(=O)C1.C=CCC/C=C/[C@H](OC)[C@@H](OCOC)[C@H](C)[C@@H](O[Si](CC)(CC)CC)/C(C)=C/[C@H](C)C(=O)CP(=O)(OC)OC.C=CCC/C=C/[C@H](OC)[C@@H](OCOC)[C@H](C)[C@@H](O[Si](CC)(CC)CC)/C(C)=C/[C@H](C)CO.O=CCC1CC(=O)NC(=O)C1.
What is the InChIKey of (3S,4E,6R,7S,8S,9S,10E)-1-dimethoxyphosphoryl-9-methoxy-8-(methoxymethoxy)-3,5,7-trimethyl-6-triethylsilyloxypentadeca-4,10,14-trien-2-one;2-(2,6-dioxopiperidin-4-yl)acetaldehyde;[(5S,6E,8R,9R,10S,11S,12E)-1-(2,6-dioxopiperidin-4-yl)-11-methoxy-10-(methoxymethoxy)-5,7,9-trimethyl-4-oxoheptadeca-6,12,16-trien-8-yl] prop-2-enoate;4-[(5S,6E,8R,9R,10S,11S,12E)-8-hydroxy-11-methoxy-10-(methoxymethoxy)-5,7,9-trimethyl-4-oxoheptadeca-6,12,16-trienyl]piperidine-2,6-dione;4-[(2E,5S,6E,8R,9S,10S,11S,12E)-11-methoxy-10-(methoxymethoxy)-5,7,9-trimethyl-4-oxo-8-triethylsilyloxyheptadeca-2,6,12,16-tetraenyl]piperidine-2,6-dione;(2S,3E,5R,6R,7S,8S,9E)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyltetradeca-3,9,13-triene-1,5-diol;(2S,3E,5R,6S,7S,8S,9E)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxytetradeca-3,9,13-trien-1-ol;prop-2-enoyl chloride?
The InChIKey is JFPRZJWPUUQPGJ-FZRVWYEHSA-N. The full InChI is InChI=1S/C34H57NO7Si.C31H47NO8.C29H55O8PSi.C28H45NO7.C26H50O5Si.C20H36O5.C7H9NO3.C3H3ClO/c1-10-14-15-16-20-30(40-9)34(41-24-39-8)27(7)33(42-43(11-2,12-3)13-4)26(6)21-25(5)29(36)19-17-18-28-22-31(37)35-32(38)23-28;1-8-10-11-12-16-26(38-7)31(39-20-37-6)23(5)30(40-29(36)9-2)22(4)17-21(3)25(33)15-13-14-24-18-27(34)32-28(35)19-24;1-12-16-17-18-19-27(33-9)29(36-22-32-8)25(7)28(37-39(13-2,14-3)15-4)24(6)20-23(5)26(30)21-38(31,34-10)35-11;1-7-8-9-10-14-24(35-6)28(36-18-34-5)21(4)27(33)20(3)15-19(2)23(30)13-11-12-22-16-25(31)29-26(32)17-22;1-10-14-15-16-17-24(29-9)26(30-20-28-8)23(7)25(22(6)18-21(5)19-27)31-32(11-2,12-3)13-4;1-7-8-9-10-11-18(24-6)20(25-14-23-5)17(4)19(22)16(3)12-15(2)13-21;9-2-1-5-3-6(10)8-7(11)4-5;1-2-3(4)5/h10,16-17,19-21,25,27-28,30,33-34H,1,11-15,18,22-24H2,2-9H3,(H,35,37,38);8-9,12,16-17,21,23-24,26,30-31H,1-2,10-11,13-15,18-20H2,3-7H3,(H,32,34,35);12,18-20,23,25,27-29H,1,13-17,21-22H2,2-11H3;7,10,14-15,19,21-22,24,27-28,33H,1,8-9,11-13,16-18H2,2-6H3,(H,29,31,32);10,16-18,21,23-27H,1,11-15,19-20H2,2-9H3;7,10-12,15,17-22H,1,8-9,13-14H2,2-6H3;2,5H,1,3-4H2,(H,8,10,11);2H,1H2/b19-17+,20-16+,26-21+;16-12+,22-17+;19-18+,24-20+;14-10+,20-15+;17-16+,22-18+;11-10+,16-12+;;/t25-,27+,30-,33-,34-;21-,23+,26-,30-,31-;23-,25+,27-,28-,29-;19-,21+,24-,27-,28-;21-,23+,24-,25-,26-;15-,17+,18-,19-,20-;;/m000000../s1.
What are the key properties of (3S,4E,6R,7S,8S,9S,10E)-1-dimethoxyphosphoryl-9-methoxy-8-(methoxymethoxy)-3,5,7-trimethyl-6-triethylsilyloxypentadeca-4,10,14-trien-2-one;2-(2,6-dioxopiperidin-4-yl)acetaldehyde;[(5S,6E,8R,9R,10S,11S,12E)-1-(2,6-dioxopiperidin-4-yl)-11-methoxy-10-(methoxymethoxy)-5,7,9-trimethyl-4-oxoheptadeca-6,12,16-trien-8-yl] prop-2-enoate;4-[(5S,6E,8R,9R,10S,11S,12E)-8-hydroxy-11-methoxy-10-(methoxymethoxy)-5,7,9-trimethyl-4-oxoheptadeca-6,12,16-trienyl]piperidine-2,6-dione;4-[(2E,5S,6E,8R,9S,10S,11S,12E)-11-methoxy-10-(methoxymethoxy)-5,7,9-trimethyl-4-oxo-8-triethylsilyloxyheptadeca-2,6,12,16-tetraenyl]piperidine-2,6-dione;(2S,3E,5R,6R,7S,8S,9E)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyltetradeca-3,9,13-triene-1,5-diol;(2S,3E,5R,6S,7S,8S,9E)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxytetradeca-3,9,13-trien-1-ol;prop-2-enoyl chloride?
(3S,4E,6R,7S,8S,9S,10E)-1-dimethoxyphosphoryl-9-methoxy-8-(methoxymethoxy)-3,5,7-trimethyl-6-triethylsilyloxypentadeca-4,10,14-trien-2-one;2-(2,6-dioxopiperidin-4-yl)acetaldehyde;[(5S,6E,8R,9R,10S,11S,12E)-1-(2,6-dioxopiperidin-4-yl)-11-methoxy-10-(methoxymethoxy)-5,7,9-trimethyl-4-oxoheptadeca-6,12,16-trien-8-yl] prop-2-enoate;4-[(5S,6E,8R,9R,10S,11S,12E)-8-hydroxy-11-methoxy-10-(methoxymethoxy)-5,7,9-trimethyl-4-oxoheptadeca-6,12,16-trienyl]piperidine-2,6-dione;4-[(2E,5S,6E,8R,9S,10S,11S,12E)-11-methoxy-10-(methoxymethoxy)-5,7,9-trimethyl-4-oxo-8-triethylsilyloxyheptadeca-2,6,12,16-tetraenyl]piperidine-2,6-dione;(2S,3E,5R,6R,7S,8S,9E)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyltetradeca-3,9,13-triene-1,5-diol;(2S,3E,5R,6S,7S,8S,9E)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxytetradeca-3,9,13-trien-1-ol;prop-2-enoyl chloride has a molecular weight of 3353.04 g/mol, XLogP of 32.14, 119 rotatable bonds, 8 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4E,6R,7S,8S,9S,10E)-1-dimethoxyphosphoryl-9-methoxy-8-(methoxymethoxy)-3,5,7-trimethyl-6-triethylsilyloxypentadeca-4,10,14-trien-2-one;2-(2,6-dioxopiperidin-4-yl)acetaldehyde;[(5S,6E,8R,9R,10S,11S,12E)-1-(2,6-dioxopiperidin-4-yl)-11-methoxy-10-(methoxymethoxy)-5,7,9-trimethyl-4-oxoheptadeca-6,12,16-trien-8-yl] prop-2-enoate;4-[(5S,6E,8R,9R,10S,11S,12E)-8-hydroxy-11-methoxy-10-(methoxymethoxy)-5,7,9-trimethyl-4-oxoheptadeca-6,12,16-trienyl]piperidine-2,6-dione;4-[(2E,5S,6E,8R,9S,10S,11S,12E)-11-methoxy-10-(methoxymethoxy)-5,7,9-trimethyl-4-oxo-8-triethylsilyloxyheptadeca-2,6,12,16-tetraenyl]piperidine-2,6-dione;(2S,3E,5R,6R,7S,8S,9E)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyltetradeca-3,9,13-triene-1,5-diol;(2S,3E,5R,6S,7S,8S,9E)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxytetradeca-3,9,13-trien-1-ol;prop-2-enoyl chloride is sourced from PubChem (CID 158902458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).