[(3Z,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z,18S)-8,14,18-trihydroxy-5,7,9,11,13,15-hexamethyl-19-(5-oxooxolan-2-yl)nonadeca-1,3,11,16-tetraen-6-yl] carbamate

C30H49NO7 — CID 11678218

About [(3Z,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z,18S)-8,14,18-trihydroxy-5,7,9,11,13,15-hexamethyl-19-(5-oxooxolan-2-yl)nonadeca-1,3,11,16-tetraen-6-yl] carbamate

[(3Z,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z,18S)-8,14,18-trihydroxy-5,7,9,11,13,15-hexamethyl-19-(5-oxooxolan-2-yl)nonadeca-1,3,11,16-tetraen-6-yl] carbamate (PubChem CID 11678218) has the molecular formula C30H49NO7 and a molecular weight of 535.72 g/mol. Its IUPAC name is [(3Z,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z,18S)-8,14,18-trihydroxy-5,7,9,11,13,15-hexamethyl-19-(5-oxooxolan-2-yl)nonadeca-1,3,11,16-tetraen-6-yl] carbamate.

Molecular Properties

• Compound Name: [(3Z,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z,18S)-8,14,18-trihydroxy-5,7,9,11,13,15-hexamethyl-19-(5-oxooxolan-2-yl)nonadeca-1,3,11,16-tetraen-6-yl] carbamate
• PubChem CID: 11678218
• Molecular Formula: C30H49NO7
• Molecular Weight: 535.72 g/mol
• Exact Mass: 535.35
• IUPAC Name: [(3Z,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z,18S)-8,14,18-trihydroxy-5,7,9,11,13,15-hexamethyl-19-(5-oxooxolan-2-yl)nonadeca-1,3,11,16-tetraen-6-yl] carbamate
• SMILES: C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)CC1CCC(=O)O1
• InChI: InChI=1S/C30H49NO7/c1-8-9-10-20(4)29(38-30(31)36)23(7)28(35)22(6)16-18(2)15-21(5)27(34)19(3)11-12-24(32)17-25-13-14-26(33)37-25/h8-12,15,19-25,27-29,32,34-35H,1,13-14,16-17H2,2-7H3,(H2,31,36)/b10-9-,12-11-,18-15-/t19-,20-,21-,22-,23-,24+,25?,27-,28+,29-/m0/s1
• InChIKey: AJHGUBZUXQXQHA-WHTYSAIASA-N
• XLogP: 4.44
• TPSA: 139.31 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 16
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.72
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(3Z,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z,18S)-8,14,18-trihydroxy-5,7,9,11,13,15-hexamethyl-19-(5-oxooxolan-2-yl)nonadeca-1,3,11,16-tetraen-6-yl] carbamate?

The IUPAC name of [(3Z,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z,18S)-8,14,18-trihydroxy-5,7,9,11,13,15-hexamethyl-19-(5-oxooxolan-2-yl)nonadeca-1,3,11,16-tetraen-6-yl] carbamate (CID 11678218) is [(3Z,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z,18S)-8,14,18-trihydroxy-5,7,9,11,13,15-hexamethyl-19-(5-oxooxolan-2-yl)nonadeca-1,3,11,16-tetraen-6-yl] carbamate.

What is the SMILES notation for [(3Z,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z,18S)-8,14,18-trihydroxy-5,7,9,11,13,15-hexamethyl-19-(5-oxooxolan-2-yl)nonadeca-1,3,11,16-tetraen-6-yl] carbamate?

The canonical SMILES for [(3Z,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z,18S)-8,14,18-trihydroxy-5,7,9,11,13,15-hexamethyl-19-(5-oxooxolan-2-yl)nonadeca-1,3,11,16-tetraen-6-yl] carbamate is C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)CC1CCC(=O)O1.

What is the InChIKey of [(3Z,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z,18S)-8,14,18-trihydroxy-5,7,9,11,13,15-hexamethyl-19-(5-oxooxolan-2-yl)nonadeca-1,3,11,16-tetraen-6-yl] carbamate?

The InChIKey is AJHGUBZUXQXQHA-WHTYSAIASA-N. The full InChI is InChI=1S/C30H49NO7/c1-8-9-10-20(4)29(38-30(31)36)23(7)28(35)22(6)16-18(2)15-21(5)27(34)19(3)11-12-24(32)17-25-13-14-26(33)37-25/h8-12,15,19-25,27-29,32,34-35H,1,13-14,16-17H2,2-7H3,(H2,31,36)/b10-9-,12-11-,18-15-/t19-,20-,21-,22-,23-,24+,25?,27-,28+,29-/m0/s1.

What are the key properties of [(3Z,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z,18S)-8,14,18-trihydroxy-5,7,9,11,13,15-hexamethyl-19-(5-oxooxolan-2-yl)nonadeca-1,3,11,16-tetraen-6-yl] carbamate?

[(3Z,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z,18S)-8,14,18-trihydroxy-5,7,9,11,13,15-hexamethyl-19-(5-oxooxolan-2-yl)nonadeca-1,3,11,16-tetraen-6-yl] carbamate has a molecular weight of 535.72 g/mol, XLogP of 4.44, 16 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(3Z,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z,18S)-8,14,18-trihydroxy-5,7,9,11,13,15-hexamethyl-19-(5-oxooxolan-2-yl)nonadeca-1,3,11,16-tetraen-6-yl] carbamate is sourced from PubChem (CID 11678218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).