(1R,2R,9S,15R,16E,18S,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methylcyclohexyl]propan-2-yl]-15,17,19,21,23,29,30,35-octamethyl-2-phenoxy-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-3,10,14,20-tetrone;(1R,9S,15R,16E,18S,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methylcyclohexyl]propan-2-yl]-15,17,19,21,23,29,30,35-octamethyl-2-phenoxy-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-3,10,14,20-tetrone

C114H170N2O20 — CID 136607341

About (1R,2R,9S,15R,16E,18S,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methylcyclohexyl]propan-2-yl]-15,17,19,21,23,29,30,35-octamethyl-2-phenoxy-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-3,10,14,20-tetrone;(1R,9S,15R,16E,18S,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methylcyclohexyl]propan-2-yl]-15,17,19,21,23,29,30,35-octamethyl-2-phenoxy-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-3,10,14,20-tetrone

(1R,2R,9S,15R,16E,18S,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methylcyclohexyl]propan-2-yl]-15,17,19,21,23,29,30,35-octamethyl-2-phenoxy-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-3,10,14,20-tetrone;(1R,9S,15R,16E,18S,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methylcyclohexyl]propan-2-yl]-15,17,19,21,23,29,30,35-octamethyl-2-phenoxy-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-3,10,14,20-tetrone (PubChem CID 136607341) has the molecular formula C114H170N2O20 and a molecular weight of 1888.61 g/mol. Its IUPAC name is (1R,2R,9S,15R,16E,18S,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methylcyclohexyl]propan-2-yl]-15,17,19,21,23,29,30,35-octamethyl-2-phenoxy-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-3,10,14,20-tetrone;(1R,9S,15R,16E,18S,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methylcyclohexyl]propan-2-yl]-15,17,19,21,23,29,30,35-octamethyl-2-phenoxy-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-3,10,14,20-tetrone.

Molecular Properties

• Compound Name: (1R,2R,9S,15R,16E,18S,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methylcyclohexyl]propan-2-yl]-15,17,19,21,23,29,30,35-octamethyl-2-phenoxy-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-3,10,14,20-tetrone;(1R,9S,15R,16E,18S,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methylcyclohexyl]propan-2-yl]-15,17,19,21,23,29,30,35-octamethyl-2-phenoxy-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-3,10,14,20-tetrone
• PubChem CID: 136607341
• Molecular Formula: C114H170N2O20
• Molecular Weight: 1888.61 g/mol
• Exact Mass: 1887.23
• IUPAC Name: (1R,2R,9S,15R,16E,18S,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methylcyclohexyl]propan-2-yl]-15,17,19,21,23,29,30,35-octamethyl-2-phenoxy-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-3,10,14,20-tetrone;(1R,9S,15R,16E,18S,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methylcyclohexyl]propan-2-yl]-15,17,19,21,23,29,30,35-octamethyl-2-phenoxy-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-3,10,14,20-tetrone
• SMILES: C/C1=C\[C@@H](C)C(=O)CC([C@H](C)CC2CC[C@@H](O)[C@H](C)C2)OC(=O)[C@@H]2CCCCN2C(=O)C(Oc2ccccc2)[C@]2(O)O[C@@H](CC[C@H]2C)C[C@H](C)/C(C)=C/C=C/C=C\[C@@H](C)C[C@@H](C)C(=O)[C@H](C)[C@@H]1O.C/C1=C\[C@@H](C)C(=O)CC([C@H](C)CC2CC[C@@H](O)[C@H](C)C2)OC(=O)[C@@H]2CCCCN2C(=O)[C@H](Oc2ccccc2)[C@]2(O)O[C@@H](CC[C@H]2C)C[C@H](C)/C(C)=C/C=C/C=C\[C@@H](C)C[C@@H](C)C(=O)[C@H](C)[C@@H]1O
• InChI: InChI=1S/2C57H85NO10/c2*1-35-19-13-11-14-20-36(2)37(3)33-47-26-24-43(9)57(65,68-47)54(66-46-21-15-12-16-22-46)55(63)58-28-18-17-23-48(58)56(64)67-51(40(6)32-45-25-27-49(59)39(5)31-45)34-50(60)38(4)30-42(8)53(62)44(10)52(61)41(7)29-35/h2*11-16,19-22,30,35,37-41,43-45,47-49,51,53-54,59,62,65H,17-18,23-29,31-34H2,1-10H3/b2*14-11+,19-13-,36-20+,42-30+/t35-,37+,38-,39-,40-,41-,43-,44+,45?,47+,48+,49-,51?,53-,54?,57-;35-,37+,38-,39-,40-,41-,43-,44+,45?,47+,48+,49-,51?,53-,54+,57-/m11/s1
• InChIKey: LSZZLCORTCTCPF-VKTPNHGMSA-N
• XLogP: 19.84
• TPSA: 319.80 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 10
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1888.61
LogP ≤ 5	19.84
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1R,2R,9S,15R,16E,18S,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methylcyclohexyl]propan-2-yl]-15,17,19,21,23,29,30,35-octamethyl-2-phenoxy-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-3,10,14,20-tetrone;(1R,9S,15R,16E,18S,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methylcyclohexyl]propan-2-yl]-15,17,19,21,23,29,30,35-octamethyl-2-phenoxy-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-3,10,14,20-tetrone?

The IUPAC name of (1R,2R,9S,15R,16E,18S,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methylcyclohexyl]propan-2-yl]-15,17,19,21,23,29,30,35-octamethyl-2-phenoxy-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-3,10,14,20-tetrone;(1R,9S,15R,16E,18S,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methylcyclohexyl]propan-2-yl]-15,17,19,21,23,29,30,35-octamethyl-2-phenoxy-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-3,10,14,20-tetrone (CID 136607341) is (1R,2R,9S,15R,16E,18S,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methylcyclohexyl]propan-2-yl]-15,17,19,21,23,29,30,35-octamethyl-2-phenoxy-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-3,10,14,20-tetrone;(1R,9S,15R,16E,18S,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methylcyclohexyl]propan-2-yl]-15,17,19,21,23,29,30,35-octamethyl-2-phenoxy-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-3,10,14,20-tetrone.

What is the SMILES notation for (1R,2R,9S,15R,16E,18S,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methylcyclohexyl]propan-2-yl]-15,17,19,21,23,29,30,35-octamethyl-2-phenoxy-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-3,10,14,20-tetrone;(1R,9S,15R,16E,18S,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methylcyclohexyl]propan-2-yl]-15,17,19,21,23,29,30,35-octamethyl-2-phenoxy-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-3,10,14,20-tetrone?

The canonical SMILES for (1R,2R,9S,15R,16E,18S,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methylcyclohexyl]propan-2-yl]-15,17,19,21,23,29,30,35-octamethyl-2-phenoxy-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-3,10,14,20-tetrone;(1R,9S,15R,16E,18S,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methylcyclohexyl]propan-2-yl]-15,17,19,21,23,29,30,35-octamethyl-2-phenoxy-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-3,10,14,20-tetrone is C/C1=C\[C@@H](C)C(=O)CC([C@H](C)CC2CC[C@@H](O)[C@H](C)C2)OC(=O)[C@@H]2CCCCN2C(=O)C(Oc2ccccc2)[C@]2(O)O[C@@H](CC[C@H]2C)C[C@H](C)/C(C)=C/C=C/C=C\[C@@H](C)C[C@@H](C)C(=O)[C@H](C)[C@@H]1O.C/C1=C\[C@@H](C)C(=O)CC([C@H](C)CC2CC[C@@H](O)[C@H](C)C2)OC(=O)[C@@H]2CCCCN2C(=O)[C@H](Oc2ccccc2)[C@]2(O)O[C@@H](CC[C@H]2C)C[C@H](C)/C(C)=C/C=C/C=C\[C@@H](C)C[C@@H](C)C(=O)[C@H](C)[C@@H]1O.

What is the InChIKey of (1R,2R,9S,15R,16E,18S,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methylcyclohexyl]propan-2-yl]-15,17,19,21,23,29,30,35-octamethyl-2-phenoxy-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-3,10,14,20-tetrone;(1R,9S,15R,16E,18S,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methylcyclohexyl]propan-2-yl]-15,17,19,21,23,29,30,35-octamethyl-2-phenoxy-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-3,10,14,20-tetrone?

The InChIKey is LSZZLCORTCTCPF-VKTPNHGMSA-N. The full InChI is InChI=1S/2C57H85NO10/c2*1-35-19-13-11-14-20-36(2)37(3)33-47-26-24-43(9)57(65,68-47)54(66-46-21-15-12-16-22-46)55(63)58-28-18-17-23-48(58)56(64)67-51(40(6)32-45-25-27-49(59)39(5)31-45)34-50(60)38(4)30-42(8)53(62)44(10)52(61)41(7)29-35/h2*11-16,19-22,30,35,37-41,43-45,47-49,51,53-54,59,62,65H,17-18,23-29,31-34H2,1-10H3/b2*14-11+,19-13-,36-20+,42-30+/t35-,37+,38-,39-,40-,41-,43-,44+,45?,47+,48+,49-,51?,53-,54?,57-;35-,37+,38-,39-,40-,41-,43-,44+,45?,47+,48+,49-,51?,53-,54+,57-/m11/s1.

What are the key properties of (1R,2R,9S,15R,16E,18S,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methylcyclohexyl]propan-2-yl]-15,17,19,21,23,29,30,35-octamethyl-2-phenoxy-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-3,10,14,20-tetrone;(1R,9S,15R,16E,18S,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methylcyclohexyl]propan-2-yl]-15,17,19,21,23,29,30,35-octamethyl-2-phenoxy-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-3,10,14,20-tetrone?

(1R,2R,9S,15R,16E,18S,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methylcyclohexyl]propan-2-yl]-15,17,19,21,23,29,30,35-octamethyl-2-phenoxy-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-3,10,14,20-tetrone;(1R,9S,15R,16E,18S,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methylcyclohexyl]propan-2-yl]-15,17,19,21,23,29,30,35-octamethyl-2-phenoxy-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-3,10,14,20-tetrone has a molecular weight of 1888.61 g/mol, XLogP of 19.84, 10 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,2R,9S,15R,16E,18S,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methylcyclohexyl]propan-2-yl]-15,17,19,21,23,29,30,35-octamethyl-2-phenoxy-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-3,10,14,20-tetrone;(1R,9S,15R,16E,18S,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methylcyclohexyl]propan-2-yl]-15,17,19,21,23,29,30,35-octamethyl-2-phenoxy-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-3,10,14,20-tetrone is sourced from PubChem (CID 136607341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).