(1R,12S,15R,16E,18R,19R,21R,23S,24E,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-[3-[(3S)-3-hydroxypiperidin-1-yl]propoxy]-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-30-(2-methoxyethoxy)-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19R,21R,23S,24E,32S,35R)-1,18-dihydroxy-19-methoxy-30-(2-methoxyethoxy)-12-[(2R)-1-[(1S,3R,4R)-3-methoxy-4-[3-[(3R)-3-methylmorpholin-4-yl]propoxy]cyclohexyl]propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19R,21R,23S,24E,32S,35R)-1,18-dihydroxy-19-methoxy-30-(2-methoxyethoxy)-12-[(2R)-1-[(1S,3R,4R)-3-methoxy-4-(2-piperidin-1-ylethoxy)cyclohexyl]propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone

C182H292N6O44 — CID 158190240

IUPAC(1R,12S,15R,16E,18R,19R,21R,23S,24E,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-[3-[(3S)-3-hydroxypiperidin-1-yl]propoxy]-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-30-(2-methoxyethoxy)-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19R,21R,23S,24E,32S,35R)-1,18-dihydroxy-19-methoxy-30-(2-methoxyethoxy)-12-[(2R)-1-[(1S,3R,4R)-3-methoxy-4-[3-[(3R)-3-methylmorpholin-4-yl]propoxy]cyclohexyl]propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19R,21R,23S,24E,32S,35R)-1,18-dihydroxy-19-methoxy-30-(2-methoxyethoxy)-12-[(2R)-1-[(1S,3R,4R)-3-methoxy-4-(2-piperidin-1-ylethoxy)cyclohexyl]propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone
SMILESCOCCOC1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCCC2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OCCCN3CCC[C@H](O)C3)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(/C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=CC=C1C.COCCOC1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCCC2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OCCCN3CCOC[C@H]3C)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(/C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=CC=C1C.COCCOC1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCCC2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OCCN3CCCCC3)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(/C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=CC=C1C
InChIInChI=1S/2C61H98N2O15.C60H96N2O14/c1-39-18-13-12-14-19-40(2)52(76-31-30-71-9)36-48-23-21-45(7)61(70,78-48)58(67)59(68)63-26-16-15-20-49(63)60(69)77-53(37-50(64)41(3)33-44(6)56(66)57(73-11)55(65)43(5)32-39)42(4)34-47-22-24-51(54(35-47)72-10)75-28-17-25-62-27-29-74-38-46(62)8;1-39-18-12-11-13-19-40(2)52(76-31-30-72-8)36-48-24-22-45(7)61(71,78-48)58(68)59(69)63-28-15-14-21-49(63)60(70)77-53(37-50(65)41(3)33-44(6)56(67)57(74-10)55(66)43(5)32-39)42(4)34-46-23-25-51(54(35-46)73-9)75-29-17-27-62-26-16-20-47(64)38-62;1-39-19-13-11-14-20-40(2)51(74-32-31-70-8)37-47-24-22-45(7)60(69,76-47)57(66)58(67)62-28-18-15-21-48(62)59(68)75-52(38-49(63)41(3)34-44(6)55(65)56(72-10)54(64)43(5)33-39)42(4)35-46-23-25-50(53(36-46)71-9)73-30-29-61-26-16-12-17-27-61/h12-14,18-19,33,39,41-43,45-49,51-54,56-57,66,70H,15-17,20-32,34-38H2,1-11H3;11-13,18-19,33,39,41-43,45-49,51-54,56-57,64,67,71H,14-17,20-32,34-38H2,1-10H3;11,13-14,19-20,34,39,41-43,45-48,50-53,55-56,65,69H,12,15-18,21-33,35-38H2,1-10H3/b14-12?,18-13+,40-19?,44-33-;13-11?,18-12+,40-19?,44-33-;14-11?,19-13+,40-20?,44-34-/t39-,41-,42-,43-,45-,46-,47+,48+,49?,51-,52?,53+,54-,56-,57+,61-;39-,41-,42-,43-,45-,46+,47+,48+,49?,51-,52?,53+,54-,56-,57+,61-;39-,41-,42-,43-,45-,46+,47+,48?,50-,51?,52+,53-,55-,56+,60-/m111/s1
InChIKeyFZQWQQAXWRKVHK-WWXVRYROSA-N
MW3268.34 g/mol
LogP22.11
Rot. Bonds41

About (1R,12S,15R,16E,18R,19R,21R,23S,24E,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-[3-[(3S)-3-hydroxypiperidin-1-yl]propoxy]-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-30-(2-methoxyethoxy)-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19R,21R,23S,24E,32S,35R)-1,18-dihydroxy-19-methoxy-30-(2-methoxyethoxy)-12-[(2R)-1-[(1S,3R,4R)-3-methoxy-4-[3-[(3R)-3-methylmorpholin-4-yl]propoxy]cyclohexyl]propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19R,21R,23S,24E,32S,35R)-1,18-dihydroxy-19-methoxy-30-(2-methoxyethoxy)-12-[(2R)-1-[(1S,3R,4R)-3-methoxy-4-(2-piperidin-1-ylethoxy)cyclohexyl]propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone

(1R,12S,15R,16E,18R,19R,21R,23S,24E,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-[3-[(3S)-3-hydroxypiperidin-1-yl]propoxy]-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-30-(2-methoxyethoxy)-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19R,21R,23S,24E,32S,35R)-1,18-dihydroxy-19-methoxy-30-(2-methoxyethoxy)-12-[(2R)-1-[(1S,3R,4R)-3-methoxy-4-[3-[(3R)-3-methylmorpholin-4-yl]propoxy]cyclohexyl]propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19R,21R,23S,24E,32S,35R)-1,18-dihydroxy-19-methoxy-30-(2-methoxyethoxy)-12-[(2R)-1-[(1S,3R,4R)-3-methoxy-4-(2-piperidin-1-ylethoxy)cyclohexyl]propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone (PubChem CID 158190240) has the molecular formula C182H292N6O44 and a molecular weight of 3268.34 g/mol. Its IUPAC name is (1R,12S,15R,16E,18R,19R,21R,23S,24E,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-[3-[(3S)-3-hydroxypiperidin-1-yl]propoxy]-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-30-(2-methoxyethoxy)-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19R,21R,23S,24E,32S,35R)-1,18-dihydroxy-19-methoxy-30-(2-methoxyethoxy)-12-[(2R)-1-[(1S,3R,4R)-3-methoxy-4-[3-[(3R)-3-methylmorpholin-4-yl]propoxy]cyclohexyl]propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19R,21R,23S,24E,32S,35R)-1,18-dihydroxy-19-methoxy-30-(2-methoxyethoxy)-12-[(2R)-1-[(1S,3R,4R)-3-methoxy-4-(2-piperidin-1-ylethoxy)cyclohexyl]propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone.

Molecular Properties

Compound Name(1R,12S,15R,16E,18R,19R,21R,23S,24E,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-[3-[(3S)-3-hydroxypiperidin-1-yl]propoxy]-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-30-(2-methoxyethoxy)-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19R,21R,23S,24E,32S,35R)-1,18-dihydroxy-19-methoxy-30-(2-methoxyethoxy)-12-[(2R)-1-[(1S,3R,4R)-3-methoxy-4-[3-[(3R)-3-methylmorpholin-4-yl]propoxy]cyclohexyl]propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19R,21R,23S,24E,32S,35R)-1,18-dihydroxy-19-methoxy-30-(2-methoxyethoxy)-12-[(2R)-1-[(1S,3R,4R)-3-methoxy-4-(2-piperidin-1-ylethoxy)cyclohexyl]propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone
PubChem CID158190240
Molecular FormulaC182H292N6O44
Molecular Weight3268.34 g/mol
Exact Mass3266.08
IUPAC Name(1R,12S,15R,16E,18R,19R,21R,23S,24E,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-[3-[(3S)-3-hydroxypiperidin-1-yl]propoxy]-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-30-(2-methoxyethoxy)-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19R,21R,23S,24E,32S,35R)-1,18-dihydroxy-19-methoxy-30-(2-methoxyethoxy)-12-[(2R)-1-[(1S,3R,4R)-3-methoxy-4-[3-[(3R)-3-methylmorpholin-4-yl]propoxy]cyclohexyl]propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19R,21R,23S,24E,32S,35R)-1,18-dihydroxy-19-methoxy-30-(2-methoxyethoxy)-12-[(2R)-1-[(1S,3R,4R)-3-methoxy-4-(2-piperidin-1-ylethoxy)cyclohexyl]propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone
SMILESCOCCOC1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCCC2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OCCCN3CCC[C@H](O)C3)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(/C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=CC=C1C.COCCOC1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCCC2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OCCCN3CCOC[C@H]3C)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(/C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=CC=C1C.COCCOC1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCCC2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OCCN3CCCCC3)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(/C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=CC=C1C
InChIInChI=1S/2C61H98N2O15.C60H96N2O14/c1-39-18-13-12-14-19-40(2)52(76-31-30-71-9)36-48-23-21-45(7)61(70,78-48)58(67)59(68)63-26-16-15-20-49(63)60(69)77-53(37-50(64)41(3)33-44(6)56(66)57(73-11)55(65)43(5)32-39)42(4)34-47-22-24-51(54(35-47)72-10)75-28-17-25-62-27-29-74-38-46(62)8;1-39-18-12-11-13-19-40(2)52(76-31-30-72-8)36-48-24-22-45(7)61(71,78-48)58(68)59(69)63-28-15-14-21-49(63)60(70)77-53(37-50(65)41(3)33-44(6)56(67)57(74-10)55(66)43(5)32-39)42(4)34-46-23-25-51(54(35-46)73-9)75-29-17-27-62-26-16-20-47(64)38-62;1-39-19-13-11-14-20-40(2)51(74-32-31-70-8)37-47-24-22-45(7)60(69,76-47)57(66)58(67)62-28-18-15-21-48(62)59(68)75-52(38-49(63)41(3)34-44(6)55(65)56(72-10)54(64)43(5)33-39)42(4)35-46-23-25-50(53(36-46)71-9)73-30-29-61-26-16-12-17-27-61/h12-14,18-19,33,39,41-43,45-49,51-54,56-57,66,70H,15-17,20-32,34-38H2,1-11H3;11-13,18-19,33,39,41-43,45-49,51-54,56-57,64,67,71H,14-17,20-32,34-38H2,1-10H3;11,13-14,19-20,34,39,41-43,45-48,50-53,55-56,65,69H,12,15-18,21-33,35-38H2,1-10H3/b14-12?,18-13+,40-19?,44-33-;13-11?,18-12+,40-19?,44-33-;14-11?,19-13+,40-20?,44-34-/t39-,41-,42-,43-,45-,46-,47+,48+,49?,51-,52?,53+,54-,56-,57+,61-;39-,41-,42-,43-,45-,46+,47+,48+,49?,51-,52?,53+,54-,56-,57+,61-;39-,41-,42-,43-,45-,46+,47+,48?,50-,51?,52+,53-,55-,56+,60-/m111/s1
InChIKeyFZQWQQAXWRKVHK-WWXVRYROSA-N
XLogP22.11
TPSA620.16 Ų
H-Bond Donors7
H-Bond Acceptors47
Rotatable Bonds41
Heavy Atoms232
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003268.34
LogP ≤ 522.11
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1047

Analyze (1R,12S,15R,16E,18R,19R,21R,23S,24E,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-[3-[(3S)-3-hydroxypiperidin-1-yl]propoxy]-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-30-(2-methoxyethoxy)-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19R,21R,23S,24E,32S,35R)-1,18-dihydroxy-19-methoxy-30-(2-methoxyethoxy)-12-[(2R)-1-[(1S,3R,4R)-3-methoxy-4-[3-[(3R)-3-methylmorpholin-4-yl]propoxy]cyclohexyl]propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19R,21R,23S,24E,32S,35R)-1,18-dihydroxy-19-methoxy-30-(2-methoxyethoxy)-12-[(2R)-1-[(1S,3R,4R)-3-methoxy-4-(2-piperidin-1-ylethoxy)cyclohexyl]propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-30-(2-hydroxyethoxy)-19-methoxy-12-[(2R)-1-[(1S,3R,4R)-3-methoxy-4-[3-[(3S)-3-methylmorpholin-4-yl]propoxy]cyclohexyl]propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone
CID 169299692
(1R,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,32S,35R)-1,18-dihydroxy-19-methoxy-30-(2-methoxyethoxy)-12-[(2R)-1-[(1S,3R,4R)-3-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]cyclohexyl]propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone
CID 155761746
(1R,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,32S,35R)-1,18-dihydroxy-19-methoxy-30-(2-methoxyethoxy)-12-[(2R)-1-[(1S,3R,4R)-3-methoxy-4-[3-[(2S)-2-methylmorpholin-4-yl]propoxy]cyclohexyl]propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone
CID 155761753
(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30R,32S,35R)-1,18-dihydroxy-30-(4-hydroxybutoxy)-19-methoxy-12-[(2R)-1-[(1S,3R,4R)-3-methoxy-4-(3-morpholin-4-ylpropoxy)cyclohexyl]propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone
CID 174049497
(1R,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,32S,35R)-1,18-dihydroxy-30-(2-hydroxyethoxy)-19-methoxy-12-[(2R)-1-[(1S,3R,4R)-3-methoxy-4-(2-piperidin-1-ylethoxy)cyclohexyl]propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone
CID 155761723
(1R,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30R,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-(3-iodopropoxy)-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-30-(2-methoxyethoxy)-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone
CID 169299736
(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-30-(2-methoxyethoxy)-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone
CID 171600517
(1R,12S,15R,16E,18R,19R,21R,23S,24E,30S,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-30-(2-methoxyethoxy)-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone
CID 174141905
1,18-dihydroxy-19,30-dimethoxy-12-[1-[(1S,3R,4R)-3-methoxy-4-(3-methoxypropoxy)cyclohexyl]propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone
CID 155013031
(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-30-[2-(2-methoxyethoxy)ethoxy]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone
CID 158388822
(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,32S,35R)-1,18-dihydroxy-19-methoxy-30-[2-(2-methoxyethoxy)ethoxy]-12-[(2R)-1-[(1S,3R)-3-methoxy-4-(oxetan-3-yloxy)cyclohexyl]propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone
CID 164931875
(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,32S,35R)-1,18-dihydroxy-30-[2-(2-hydroxyethoxy)ethoxy]-12-[(2R)-1-[(1S,3R,4R)-4-[2-(2-hydroxyethoxy)ethoxy]-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone
CID 146689960

Frequently Asked Questions

What is the IUPAC name of (1R,12S,15R,16E,18R,19R,21R,23S,24E,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-[3-[(3S)-3-hydroxypiperidin-1-yl]propoxy]-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-30-(2-methoxyethoxy)-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19R,21R,23S,24E,32S,35R)-1,18-dihydroxy-19-methoxy-30-(2-methoxyethoxy)-12-[(2R)-1-[(1S,3R,4R)-3-methoxy-4-[3-[(3R)-3-methylmorpholin-4-yl]propoxy]cyclohexyl]propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19R,21R,23S,24E,32S,35R)-1,18-dihydroxy-19-methoxy-30-(2-methoxyethoxy)-12-[(2R)-1-[(1S,3R,4R)-3-methoxy-4-(2-piperidin-1-ylethoxy)cyclohexyl]propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone?
The IUPAC name of (1R,12S,15R,16E,18R,19R,21R,23S,24E,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-[3-[(3S)-3-hydroxypiperidin-1-yl]propoxy]-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-30-(2-methoxyethoxy)-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19R,21R,23S,24E,32S,35R)-1,18-dihydroxy-19-methoxy-30-(2-methoxyethoxy)-12-[(2R)-1-[(1S,3R,4R)-3-methoxy-4-[3-[(3R)-3-methylmorpholin-4-yl]propoxy]cyclohexyl]propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19R,21R,23S,24E,32S,35R)-1,18-dihydroxy-19-methoxy-30-(2-methoxyethoxy)-12-[(2R)-1-[(1S,3R,4R)-3-methoxy-4-(2-piperidin-1-ylethoxy)cyclohexyl]propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone (CID 158190240) is (1R,12S,15R,16E,18R,19R,21R,23S,24E,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-[3-[(3S)-3-hydroxypiperidin-1-yl]propoxy]-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-30-(2-methoxyethoxy)-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19R,21R,23S,24E,32S,35R)-1,18-dihydroxy-19-methoxy-30-(2-methoxyethoxy)-12-[(2R)-1-[(1S,3R,4R)-3-methoxy-4-[3-[(3R)-3-methylmorpholin-4-yl]propoxy]cyclohexyl]propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19R,21R,23S,24E,32S,35R)-1,18-dihydroxy-19-methoxy-30-(2-methoxyethoxy)-12-[(2R)-1-[(1S,3R,4R)-3-methoxy-4-(2-piperidin-1-ylethoxy)cyclohexyl]propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone.
What is the SMILES notation for (1R,12S,15R,16E,18R,19R,21R,23S,24E,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-[3-[(3S)-3-hydroxypiperidin-1-yl]propoxy]-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-30-(2-methoxyethoxy)-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19R,21R,23S,24E,32S,35R)-1,18-dihydroxy-19-methoxy-30-(2-methoxyethoxy)-12-[(2R)-1-[(1S,3R,4R)-3-methoxy-4-[3-[(3R)-3-methylmorpholin-4-yl]propoxy]cyclohexyl]propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19R,21R,23S,24E,32S,35R)-1,18-dihydroxy-19-methoxy-30-(2-methoxyethoxy)-12-[(2R)-1-[(1S,3R,4R)-3-methoxy-4-(2-piperidin-1-ylethoxy)cyclohexyl]propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone?
The canonical SMILES for (1R,12S,15R,16E,18R,19R,21R,23S,24E,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-[3-[(3S)-3-hydroxypiperidin-1-yl]propoxy]-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-30-(2-methoxyethoxy)-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19R,21R,23S,24E,32S,35R)-1,18-dihydroxy-19-methoxy-30-(2-methoxyethoxy)-12-[(2R)-1-[(1S,3R,4R)-3-methoxy-4-[3-[(3R)-3-methylmorpholin-4-yl]propoxy]cyclohexyl]propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19R,21R,23S,24E,32S,35R)-1,18-dihydroxy-19-methoxy-30-(2-methoxyethoxy)-12-[(2R)-1-[(1S,3R,4R)-3-methoxy-4-(2-piperidin-1-ylethoxy)cyclohexyl]propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone is COCCOC1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCCC2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OCCCN3CCC[C@H](O)C3)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(/C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=CC=C1C.COCCOC1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCCC2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OCCCN3CCOC[C@H]3C)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(/C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=CC=C1C.COCCOC1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCCC2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OCCN3CCCCC3)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(/C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=CC=C1C.
What is the InChIKey of (1R,12S,15R,16E,18R,19R,21R,23S,24E,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-[3-[(3S)-3-hydroxypiperidin-1-yl]propoxy]-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-30-(2-methoxyethoxy)-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19R,21R,23S,24E,32S,35R)-1,18-dihydroxy-19-methoxy-30-(2-methoxyethoxy)-12-[(2R)-1-[(1S,3R,4R)-3-methoxy-4-[3-[(3R)-3-methylmorpholin-4-yl]propoxy]cyclohexyl]propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19R,21R,23S,24E,32S,35R)-1,18-dihydroxy-19-methoxy-30-(2-methoxyethoxy)-12-[(2R)-1-[(1S,3R,4R)-3-methoxy-4-(2-piperidin-1-ylethoxy)cyclohexyl]propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone?
The InChIKey is FZQWQQAXWRKVHK-WWXVRYROSA-N. The full InChI is InChI=1S/2C61H98N2O15.C60H96N2O14/c1-39-18-13-12-14-19-40(2)52(76-31-30-71-9)36-48-23-21-45(7)61(70,78-48)58(67)59(68)63-26-16-15-20-49(63)60(69)77-53(37-50(64)41(3)33-44(6)56(66)57(73-11)55(65)43(5)32-39)42(4)34-47-22-24-51(54(35-47)72-10)75-28-17-25-62-27-29-74-38-46(62)8;1-39-18-12-11-13-19-40(2)52(76-31-30-72-8)36-48-24-22-45(7)61(71,78-48)58(68)59(69)63-28-15-14-21-49(63)60(70)77-53(37-50(65)41(3)33-44(6)56(67)57(74-10)55(66)43(5)32-39)42(4)34-46-23-25-51(54(35-46)73-9)75-29-17-27-62-26-16-20-47(64)38-62;1-39-19-13-11-14-20-40(2)51(74-32-31-70-8)37-47-24-22-45(7)60(69,76-47)57(66)58(67)62-28-18-15-21-48(62)59(68)75-52(38-49(63)41(3)34-44(6)55(65)56(72-10)54(64)43(5)33-39)42(4)35-46-23-25-50(53(36-46)71-9)73-30-29-61-26-16-12-17-27-61/h12-14,18-19,33,39,41-43,45-49,51-54,56-57,66,70H,15-17,20-32,34-38H2,1-11H3;11-13,18-19,33,39,41-43,45-49,51-54,56-57,64,67,71H,14-17,20-32,34-38H2,1-10H3;11,13-14,19-20,34,39,41-43,45-48,50-53,55-56,65,69H,12,15-18,21-33,35-38H2,1-10H3/b14-12?,18-13+,40-19?,44-33-;13-11?,18-12+,40-19?,44-33-;14-11?,19-13+,40-20?,44-34-/t39-,41-,42-,43-,45-,46-,47+,48+,49?,51-,52?,53+,54-,56-,57+,61-;39-,41-,42-,43-,45-,46+,47+,48+,49?,51-,52?,53+,54-,56-,57+,61-;39-,41-,42-,43-,45-,46+,47+,48?,50-,51?,52+,53-,55-,56+,60-/m111/s1.
What are the key properties of (1R,12S,15R,16E,18R,19R,21R,23S,24E,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-[3-[(3S)-3-hydroxypiperidin-1-yl]propoxy]-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-30-(2-methoxyethoxy)-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19R,21R,23S,24E,32S,35R)-1,18-dihydroxy-19-methoxy-30-(2-methoxyethoxy)-12-[(2R)-1-[(1S,3R,4R)-3-methoxy-4-[3-[(3R)-3-methylmorpholin-4-yl]propoxy]cyclohexyl]propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19R,21R,23S,24E,32S,35R)-1,18-dihydroxy-19-methoxy-30-(2-methoxyethoxy)-12-[(2R)-1-[(1S,3R,4R)-3-methoxy-4-(2-piperidin-1-ylethoxy)cyclohexyl]propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone?
(1R,12S,15R,16E,18R,19R,21R,23S,24E,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-[3-[(3S)-3-hydroxypiperidin-1-yl]propoxy]-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-30-(2-methoxyethoxy)-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19R,21R,23S,24E,32S,35R)-1,18-dihydroxy-19-methoxy-30-(2-methoxyethoxy)-12-[(2R)-1-[(1S,3R,4R)-3-methoxy-4-[3-[(3R)-3-methylmorpholin-4-yl]propoxy]cyclohexyl]propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19R,21R,23S,24E,32S,35R)-1,18-dihydroxy-19-methoxy-30-(2-methoxyethoxy)-12-[(2R)-1-[(1S,3R,4R)-3-methoxy-4-(2-piperidin-1-ylethoxy)cyclohexyl]propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone has a molecular weight of 3268.34 g/mol, XLogP of 22.11, 41 rotatable bonds, 7 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,12S,15R,16E,18R,19R,21R,23S,24E,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-[3-[(3S)-3-hydroxypiperidin-1-yl]propoxy]-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-30-(2-methoxyethoxy)-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19R,21R,23S,24E,32S,35R)-1,18-dihydroxy-19-methoxy-30-(2-methoxyethoxy)-12-[(2R)-1-[(1S,3R,4R)-3-methoxy-4-[3-[(3R)-3-methylmorpholin-4-yl]propoxy]cyclohexyl]propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19R,21R,23S,24E,32S,35R)-1,18-dihydroxy-19-methoxy-30-(2-methoxyethoxy)-12-[(2R)-1-[(1S,3R,4R)-3-methoxy-4-(2-piperidin-1-ylethoxy)cyclohexyl]propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone is sourced from PubChem (CID 158190240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).