(2R,5S,11S,14S,19R,22E)-19-hydroxy-2,11-dimethyl-14-propan-2-yl-3-oxa-9,12,15,30,33-pentazatetracyclo[22.5.3.15,9.027,31]tritriaconta-1(30),22,24(32),25,27(31),28-hexaene-4,10,13,16-tetrone

C32H43N5O6 — CID 138507276

About (2R,5S,11S,14S,19R,22E)-19-hydroxy-2,11-dimethyl-14-propan-2-yl-3-oxa-9,12,15,30,33-pentazatetracyclo[22.5.3.15,9.027,31]tritriaconta-1(30),22,24(32),25,27(31),28-hexaene-4,10,13,16-tetrone

(2R,5S,11S,14S,19R,22E)-19-hydroxy-2,11-dimethyl-14-propan-2-yl-3-oxa-9,12,15,30,33-pentazatetracyclo[22.5.3.15,9.027,31]tritriaconta-1(30),22,24(32),25,27(31),28-hexaene-4,10,13,16-tetrone (PubChem CID 138507276) has the molecular formula C32H43N5O6 and a molecular weight of 593.73 g/mol. Its IUPAC name is (2R,5S,11S,14S,19R,22E)-19-hydroxy-2,11-dimethyl-14-propan-2-yl-3-oxa-9,12,15,30,33-pentazatetracyclo[22.5.3.15,9.027,31]tritriaconta-1(30),22,24(32),25,27(31),28-hexaene-4,10,13,16-tetrone.

Molecular Properties

• Compound Name: (2R,5S,11S,14S,19R,22E)-19-hydroxy-2,11-dimethyl-14-propan-2-yl-3-oxa-9,12,15,30,33-pentazatetracyclo[22.5.3.15,9.027,31]tritriaconta-1(30),22,24(32),25,27(31),28-hexaene-4,10,13,16-tetrone
• PubChem CID: 138507276
• Molecular Formula: C32H43N5O6
• Molecular Weight: 593.73 g/mol
• Exact Mass: 593.32
• IUPAC Name: (2R,5S,11S,14S,19R,22E)-19-hydroxy-2,11-dimethyl-14-propan-2-yl-3-oxa-9,12,15,30,33-pentazatetracyclo[22.5.3.15,9.027,31]tritriaconta-1(30),22,24(32),25,27(31),28-hexaene-4,10,13,16-tetrone
• SMILES: CC(C)[C@@H]1NC(=O)CC[C@H](O)CC/C=C/c2ccc3ccc(nc3c2)[C@@H](C)OC(=O)[C@@H]2CCCN(N2)C(=O)[C@H](C)NC1=O
• InChI: InChI=1S/C32H43N5O6/c1-19(2)29-30(40)33-20(3)31(41)37-17-7-10-26(36-37)32(42)43-21(4)25-15-13-23-12-11-22(18-27(23)34-25)8-5-6-9-24(38)14-16-28(39)35-29/h5,8,11-13,15,18-21,24,26,29,36,38H,6-7,9-10,14,16-17H2,1-4H3,(H,33,40)(H,35,39)/b8-5+/t20-,21+,24+,26-,29-/m0/s1
• InChIKey: BTUSOKXIJMWRQM-ZTSWKTLCSA-N
• XLogP: 2.93
• TPSA: 149.96 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 1
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	593.73
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2R,5S,11S,14S,19R,22E)-19-hydroxy-2,11-dimethyl-14-propan-2-yl-3-oxa-9,12,15,30,33-pentazatetracyclo[22.5.3.15,9.027,31]tritriaconta-1(30),22,24(32),25,27(31),28-hexaene-4,10,13,16-tetrone?

The IUPAC name of (2R,5S,11S,14S,19R,22E)-19-hydroxy-2,11-dimethyl-14-propan-2-yl-3-oxa-9,12,15,30,33-pentazatetracyclo[22.5.3.15,9.027,31]tritriaconta-1(30),22,24(32),25,27(31),28-hexaene-4,10,13,16-tetrone (CID 138507276) is (2R,5S,11S,14S,19R,22E)-19-hydroxy-2,11-dimethyl-14-propan-2-yl-3-oxa-9,12,15,30,33-pentazatetracyclo[22.5.3.15,9.027,31]tritriaconta-1(30),22,24(32),25,27(31),28-hexaene-4,10,13,16-tetrone.

What is the SMILES notation for (2R,5S,11S,14S,19R,22E)-19-hydroxy-2,11-dimethyl-14-propan-2-yl-3-oxa-9,12,15,30,33-pentazatetracyclo[22.5.3.15,9.027,31]tritriaconta-1(30),22,24(32),25,27(31),28-hexaene-4,10,13,16-tetrone?

The canonical SMILES for (2R,5S,11S,14S,19R,22E)-19-hydroxy-2,11-dimethyl-14-propan-2-yl-3-oxa-9,12,15,30,33-pentazatetracyclo[22.5.3.15,9.027,31]tritriaconta-1(30),22,24(32),25,27(31),28-hexaene-4,10,13,16-tetrone is CC(C)[C@@H]1NC(=O)CC[C@H](O)CC/C=C/c2ccc3ccc(nc3c2)[C@@H](C)OC(=O)[C@@H]2CCCN(N2)C(=O)[C@H](C)NC1=O.

What is the InChIKey of (2R,5S,11S,14S,19R,22E)-19-hydroxy-2,11-dimethyl-14-propan-2-yl-3-oxa-9,12,15,30,33-pentazatetracyclo[22.5.3.15,9.027,31]tritriaconta-1(30),22,24(32),25,27(31),28-hexaene-4,10,13,16-tetrone?

The InChIKey is BTUSOKXIJMWRQM-ZTSWKTLCSA-N. The full InChI is InChI=1S/C32H43N5O6/c1-19(2)29-30(40)33-20(3)31(41)37-17-7-10-26(36-37)32(42)43-21(4)25-15-13-23-12-11-22(18-27(23)34-25)8-5-6-9-24(38)14-16-28(39)35-29/h5,8,11-13,15,18-21,24,26,29,36,38H,6-7,9-10,14,16-17H2,1-4H3,(H,33,40)(H,35,39)/b8-5+/t20-,21+,24+,26-,29-/m0/s1.

What are the key properties of (2R,5S,11S,14S,19R,22E)-19-hydroxy-2,11-dimethyl-14-propan-2-yl-3-oxa-9,12,15,30,33-pentazatetracyclo[22.5.3.15,9.027,31]tritriaconta-1(30),22,24(32),25,27(31),28-hexaene-4,10,13,16-tetrone?

(2R,5S,11S,14S,19R,22E)-19-hydroxy-2,11-dimethyl-14-propan-2-yl-3-oxa-9,12,15,30,33-pentazatetracyclo[22.5.3.15,9.027,31]tritriaconta-1(30),22,24(32),25,27(31),28-hexaene-4,10,13,16-tetrone has a molecular weight of 593.73 g/mol, XLogP of 2.93, 1 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,5S,11S,14S,19R,22E)-19-hydroxy-2,11-dimethyl-14-propan-2-yl-3-oxa-9,12,15,30,33-pentazatetracyclo[22.5.3.15,9.027,31]tritriaconta-1(30),22,24(32),25,27(31),28-hexaene-4,10,13,16-tetrone is sourced from PubChem (CID 138507276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).