(8R,12S,15R,16E,19R,23S,24E,26E,28E,32S)-1,18-dihydroxy-19-methoxy-37-[(3-methoxycyclohexyl)methyl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatetracyclo[30.3.1.18,12.04,9]heptatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone;methanol

C50H77NO12 — CID 143882807

About (8R,12S,15R,16E,19R,23S,24E,26E,28E,32S)-1,18-dihydroxy-19-methoxy-37-[(3-methoxycyclohexyl)methyl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatetracyclo[30.3.1.18,12.04,9]heptatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone;methanol

(8R,12S,15R,16E,19R,23S,24E,26E,28E,32S)-1,18-dihydroxy-19-methoxy-37-[(3-methoxycyclohexyl)methyl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatetracyclo[30.3.1.18,12.04,9]heptatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone;methanol (PubChem CID 143882807) has the molecular formula C50H77NO12 and a molecular weight of 884.16 g/mol. Its IUPAC name is (8R,12S,15R,16E,19R,23S,24E,26E,28E,32S)-1,18-dihydroxy-19-methoxy-37-[(3-methoxycyclohexyl)methyl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatetracyclo[30.3.1.18,12.04,9]heptatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone;methanol.

Molecular Properties

• Compound Name: (8R,12S,15R,16E,19R,23S,24E,26E,28E,32S)-1,18-dihydroxy-19-methoxy-37-[(3-methoxycyclohexyl)methyl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatetracyclo[30.3.1.18,12.04,9]heptatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone;methanol
• PubChem CID: 143882807
• Molecular Formula: C50H77NO12
• Molecular Weight: 884.16 g/mol
• Exact Mass: 883.54
• IUPAC Name: (8R,12S,15R,16E,19R,23S,24E,26E,28E,32S)-1,18-dihydroxy-19-methoxy-37-[(3-methoxycyclohexyl)methyl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatetracyclo[30.3.1.18,12.04,9]heptatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone;methanol
• SMILES: CO.COC1CCCC(CC2[C@H]3CCCN4C(=O)C(=O)C5(O)O[C@H](CC/C(C)=C\C=C/C=C\[C@@H](C)CC(C)C(=O)[C@H](OC)C(O)/C(C)=C\[C@@H](C)C(=O)C[C@@H]2OC(=O)C34)CCC5C)C1
• InChI: InChI=1S/C49H73NO11.CH4O/c1-29-14-10-9-11-15-30(2)24-32(4)43(52)45(59-8)44(53)33(5)25-31(3)40(51)28-41-39(27-35-16-12-17-37(26-35)58-7)38-18-13-23-50(42(38)48(56)60-41)47(55)46(54)49(57)34(6)20-22-36(61-49)21-19-29;1-2/h9-11,14-15,25,30-32,34-39,41-42,44-45,53,57H,12-13,16-24,26-28H2,1-8H3;2H,1H3/b10-9-,15-11-,29-14-,33-25-;/t30-,31-,32?,34?,35?,36-,37?,38-,39?,41+,42?,44?,45+,49?;/m1./s1
• InChIKey: SEFQJIAVKORQSZ-LCLVVBGCSA-N
• XLogP: 6.41
• TPSA: 186.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 4
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	884.16
LogP ≤ 5	6.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (8R,12S,15R,16E,19R,23S,24E,26E,28E,32S)-1,18-dihydroxy-19-methoxy-37-[(3-methoxycyclohexyl)methyl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatetracyclo[30.3.1.18,12.04,9]heptatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone;methanol?

The IUPAC name of (8R,12S,15R,16E,19R,23S,24E,26E,28E,32S)-1,18-dihydroxy-19-methoxy-37-[(3-methoxycyclohexyl)methyl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatetracyclo[30.3.1.18,12.04,9]heptatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone;methanol (CID 143882807) is (8R,12S,15R,16E,19R,23S,24E,26E,28E,32S)-1,18-dihydroxy-19-methoxy-37-[(3-methoxycyclohexyl)methyl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatetracyclo[30.3.1.18,12.04,9]heptatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone;methanol.

What is the SMILES notation for (8R,12S,15R,16E,19R,23S,24E,26E,28E,32S)-1,18-dihydroxy-19-methoxy-37-[(3-methoxycyclohexyl)methyl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatetracyclo[30.3.1.18,12.04,9]heptatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone;methanol?

The canonical SMILES for (8R,12S,15R,16E,19R,23S,24E,26E,28E,32S)-1,18-dihydroxy-19-methoxy-37-[(3-methoxycyclohexyl)methyl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatetracyclo[30.3.1.18,12.04,9]heptatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone;methanol is CO.COC1CCCC(CC2[C@H]3CCCN4C(=O)C(=O)C5(O)O[C@H](CC/C(C)=C\C=C/C=C\[C@@H](C)CC(C)C(=O)[C@H](OC)C(O)/C(C)=C\[C@@H](C)C(=O)C[C@@H]2OC(=O)C34)CCC5C)C1.

What is the InChIKey of (8R,12S,15R,16E,19R,23S,24E,26E,28E,32S)-1,18-dihydroxy-19-methoxy-37-[(3-methoxycyclohexyl)methyl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatetracyclo[30.3.1.18,12.04,9]heptatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone;methanol?

The InChIKey is SEFQJIAVKORQSZ-LCLVVBGCSA-N. The full InChI is InChI=1S/C49H73NO11.CH4O/c1-29-14-10-9-11-15-30(2)24-32(4)43(52)45(59-8)44(53)33(5)25-31(3)40(51)28-41-39(27-35-16-12-17-37(26-35)58-7)38-18-13-23-50(42(38)48(56)60-41)47(55)46(54)49(57)34(6)20-22-36(61-49)21-19-29;1-2/h9-11,14-15,25,30-32,34-39,41-42,44-45,53,57H,12-13,16-24,26-28H2,1-8H3;2H,1H3/b10-9-,15-11-,29-14-,33-25-;/t30-,31-,32?,34?,35?,36-,37?,38-,39?,41+,42?,44?,45+,49?;/m1./s1.

What are the key properties of (8R,12S,15R,16E,19R,23S,24E,26E,28E,32S)-1,18-dihydroxy-19-methoxy-37-[(3-methoxycyclohexyl)methyl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatetracyclo[30.3.1.18,12.04,9]heptatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone;methanol?

(8R,12S,15R,16E,19R,23S,24E,26E,28E,32S)-1,18-dihydroxy-19-methoxy-37-[(3-methoxycyclohexyl)methyl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatetracyclo[30.3.1.18,12.04,9]heptatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone;methanol has a molecular weight of 884.16 g/mol, XLogP of 6.41, 4 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (8R,12S,15R,16E,19R,23S,24E,26E,28E,32S)-1,18-dihydroxy-19-methoxy-37-[(3-methoxycyclohexyl)methyl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatetracyclo[30.3.1.18,12.04,9]heptatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone;methanol is sourced from PubChem (CID 143882807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).