4-methyl-2-(9,24,32-trihydroxy-10,13,19,20-tetramethyl-27-methylidene-33,34,35-trioxa-22-azahexacyclo[27.3.1.11,4.14,7.012,17.017,23]pentatriaconta-10,13,22-trien-14-yl)-2H-furan-5-one

C41H59NO8 — CID 163000530

About 4-methyl-2-(9,24,32-trihydroxy-10,13,19,20-tetramethyl-27-methylidene-33,34,35-trioxa-22-azahexacyclo[27.3.1.11,4.14,7.012,17.017,23]pentatriaconta-10,13,22-trien-14-yl)-2H-furan-5-one

4-methyl-2-(9,24,32-trihydroxy-10,13,19,20-tetramethyl-27-methylidene-33,34,35-trioxa-22-azahexacyclo[27.3.1.11,4.14,7.012,17.017,23]pentatriaconta-10,13,22-trien-14-yl)-2H-furan-5-one (PubChem CID 163000530) has the molecular formula C41H59NO8 and a molecular weight of 693.92 g/mol. Its IUPAC name is 4-methyl-2-(9,24,32-trihydroxy-10,13,19,20-tetramethyl-27-methylidene-33,34,35-trioxa-22-azahexacyclo[27.3.1.11,4.14,7.012,17.017,23]pentatriaconta-10,13,22-trien-14-yl)-2H-furan-5-one.

Molecular Properties

• Compound Name: 4-methyl-2-(9,24,32-trihydroxy-10,13,19,20-tetramethyl-27-methylidene-33,34,35-trioxa-22-azahexacyclo[27.3.1.11,4.14,7.012,17.017,23]pentatriaconta-10,13,22-trien-14-yl)-2H-furan-5-one
• PubChem CID: 163000530
• Molecular Formula: C41H59NO8
• Molecular Weight: 693.92 g/mol
• Exact Mass: 693.42
• IUPAC Name: 4-methyl-2-(9,24,32-trihydroxy-10,13,19,20-tetramethyl-27-methylidene-33,34,35-trioxa-22-azahexacyclo[27.3.1.11,4.14,7.012,17.017,23]pentatriaconta-10,13,22-trien-14-yl)-2H-furan-5-one
• SMILES: C=C1CCC(O)C2=NCC(C)C(C)CC23CCC(C2C=C(C)C(=O)O2)=C(C)C3C=C(C)C(O)CC2CCC3(CCC4(OC(CCC4O)C1)O3)O2
• InChI: InChI=1S/C41H59NO8/c1-23-7-9-33(43)37-39(21-26(4)27(5)22-42-37)13-12-31(35-19-25(3)38(46)47-35)28(6)32(39)18-24(2)34(44)20-30-11-14-40(48-30)15-16-41(50-40)36(45)10-8-29(17-23)49-41/h18-19,26-27,29-30,32-36,43-45H,1,7-17,20-22H2,2-6H3
• InChIKey: YEBJLPZBBAZOPS-UHFFFAOYSA-N
• XLogP: 6.41
• TPSA: 127.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 1
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	693.92
LogP ≤ 5	6.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(9,24,32-trihydroxy-10,13,19,20-tetramethyl-27-methylidene-33,34,35-trioxa-22-azahexacyclo[27.3.1.11,4.14,7.012,17.017,23]pentatriaconta-10,13,22-trien-14-yl)-2H-furan-5-one?

The IUPAC name of 4-methyl-2-(9,24,32-trihydroxy-10,13,19,20-tetramethyl-27-methylidene-33,34,35-trioxa-22-azahexacyclo[27.3.1.11,4.14,7.012,17.017,23]pentatriaconta-10,13,22-trien-14-yl)-2H-furan-5-one (CID 163000530) is 4-methyl-2-(9,24,32-trihydroxy-10,13,19,20-tetramethyl-27-methylidene-33,34,35-trioxa-22-azahexacyclo[27.3.1.11,4.14,7.012,17.017,23]pentatriaconta-10,13,22-trien-14-yl)-2H-furan-5-one.

What is the SMILES notation for 4-methyl-2-(9,24,32-trihydroxy-10,13,19,20-tetramethyl-27-methylidene-33,34,35-trioxa-22-azahexacyclo[27.3.1.11,4.14,7.012,17.017,23]pentatriaconta-10,13,22-trien-14-yl)-2H-furan-5-one?

The canonical SMILES for 4-methyl-2-(9,24,32-trihydroxy-10,13,19,20-tetramethyl-27-methylidene-33,34,35-trioxa-22-azahexacyclo[27.3.1.11,4.14,7.012,17.017,23]pentatriaconta-10,13,22-trien-14-yl)-2H-furan-5-one is C=C1CCC(O)C2=NCC(C)C(C)CC23CCC(C2C=C(C)C(=O)O2)=C(C)C3C=C(C)C(O)CC2CCC3(CCC4(OC(CCC4O)C1)O3)O2.

What is the InChIKey of 4-methyl-2-(9,24,32-trihydroxy-10,13,19,20-tetramethyl-27-methylidene-33,34,35-trioxa-22-azahexacyclo[27.3.1.11,4.14,7.012,17.017,23]pentatriaconta-10,13,22-trien-14-yl)-2H-furan-5-one?

The InChIKey is YEBJLPZBBAZOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H59NO8/c1-23-7-9-33(43)37-39(21-26(4)27(5)22-42-37)13-12-31(35-19-25(3)38(46)47-35)28(6)32(39)18-24(2)34(44)20-30-11-14-40(48-30)15-16-41(50-40)36(45)10-8-29(17-23)49-41/h18-19,26-27,29-30,32-36,43-45H,1,7-17,20-22H2,2-6H3.

What are the key properties of 4-methyl-2-(9,24,32-trihydroxy-10,13,19,20-tetramethyl-27-methylidene-33,34,35-trioxa-22-azahexacyclo[27.3.1.11,4.14,7.012,17.017,23]pentatriaconta-10,13,22-trien-14-yl)-2H-furan-5-one?

4-methyl-2-(9,24,32-trihydroxy-10,13,19,20-tetramethyl-27-methylidene-33,34,35-trioxa-22-azahexacyclo[27.3.1.11,4.14,7.012,17.017,23]pentatriaconta-10,13,22-trien-14-yl)-2H-furan-5-one has a molecular weight of 693.92 g/mol, XLogP of 6.41, 1 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-2-(9,24,32-trihydroxy-10,13,19,20-tetramethyl-27-methylidene-33,34,35-trioxa-22-azahexacyclo[27.3.1.11,4.14,7.012,17.017,23]pentatriaconta-10,13,22-trien-14-yl)-2H-furan-5-one is sourced from PubChem (CID 163000530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).