(4Z,6R,7Z,9Z,11Z,14R,15Z,17Z,19Z,22R)-22-[(2S,3R,4R,7S)-3,7-dihydroxy-4-methyldecan-2-yl]-6,14-dihydroxy-5,8,12-trimethyl-1-oxacyclodocosa-4,7,9,11,15,17,19-heptaene-2,13-dione

C35H52O7 — CID 162816196

About (4Z,6R,7Z,9Z,11Z,14R,15Z,17Z,19Z,22R)-22-[(2S,3R,4R,7S)-3,7-dihydroxy-4-methyldecan-2-yl]-6,14-dihydroxy-5,8,12-trimethyl-1-oxacyclodocosa-4,7,9,11,15,17,19-heptaene-2,13-dione

(4Z,6R,7Z,9Z,11Z,14R,15Z,17Z,19Z,22R)-22-[(2S,3R,4R,7S)-3,7-dihydroxy-4-methyldecan-2-yl]-6,14-dihydroxy-5,8,12-trimethyl-1-oxacyclodocosa-4,7,9,11,15,17,19-heptaene-2,13-dione (PubChem CID 162816196) has the molecular formula C35H52O7 and a molecular weight of 584.79 g/mol. Its IUPAC name is (4Z,6R,7Z,9Z,11Z,14R,15Z,17Z,19Z,22R)-22-[(2S,3R,4R,7S)-3,7-dihydroxy-4-methyldecan-2-yl]-6,14-dihydroxy-5,8,12-trimethyl-1-oxacyclodocosa-4,7,9,11,15,17,19-heptaene-2,13-dione.

Molecular Properties

• Compound Name: (4Z,6R,7Z,9Z,11Z,14R,15Z,17Z,19Z,22R)-22-[(2S,3R,4R,7S)-3,7-dihydroxy-4-methyldecan-2-yl]-6,14-dihydroxy-5,8,12-trimethyl-1-oxacyclodocosa-4,7,9,11,15,17,19-heptaene-2,13-dione
• PubChem CID: 162816196
• Molecular Formula: C35H52O7
• Molecular Weight: 584.79 g/mol
• Exact Mass: 584.37
• IUPAC Name: (4Z,6R,7Z,9Z,11Z,14R,15Z,17Z,19Z,22R)-22-[(2S,3R,4R,7S)-3,7-dihydroxy-4-methyldecan-2-yl]-6,14-dihydroxy-5,8,12-trimethyl-1-oxacyclodocosa-4,7,9,11,15,17,19-heptaene-2,13-dione
• SMILES: CCC[C@H](O)CC[C@@H](C)[C@@H](O)[C@H](C)[C@H]1C/C=C\C=C/C=C\[C@@H](O)C(=O)/C(C)=C\C=C/C(C)=C\[C@@H](O)/C(C)=C\CC(=O)O1
• InChI: InChI=1S/C35H52O7/c1-7-14-29(36)21-19-27(5)34(40)28(6)32-18-12-10-8-9-11-17-30(37)35(41)26(4)16-13-15-24(2)23-31(38)25(3)20-22-33(39)42-32/h8-13,15-17,20,23,27-32,34,36-38,40H,7,14,18-19,21-22H2,1-6H3/b9-8-,12-10-,15-13-,17-11-,24-23-,25-20-,26-16-/t27-,28-,29+,30-,31-,32-,34-/m1/s1
• InChIKey: QLZKMDGIDCWQSD-ORUUCYKMSA-N
• XLogP: 5.62
• TPSA: 124.29 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	584.79
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4Z,6R,7Z,9Z,11Z,14R,15Z,17Z,19Z,22R)-22-[(2S,3R,4R,7S)-3,7-dihydroxy-4-methyldecan-2-yl]-6,14-dihydroxy-5,8,12-trimethyl-1-oxacyclodocosa-4,7,9,11,15,17,19-heptaene-2,13-dione?

The IUPAC name of (4Z,6R,7Z,9Z,11Z,14R,15Z,17Z,19Z,22R)-22-[(2S,3R,4R,7S)-3,7-dihydroxy-4-methyldecan-2-yl]-6,14-dihydroxy-5,8,12-trimethyl-1-oxacyclodocosa-4,7,9,11,15,17,19-heptaene-2,13-dione (CID 162816196) is (4Z,6R,7Z,9Z,11Z,14R,15Z,17Z,19Z,22R)-22-[(2S,3R,4R,7S)-3,7-dihydroxy-4-methyldecan-2-yl]-6,14-dihydroxy-5,8,12-trimethyl-1-oxacyclodocosa-4,7,9,11,15,17,19-heptaene-2,13-dione.

What is the SMILES notation for (4Z,6R,7Z,9Z,11Z,14R,15Z,17Z,19Z,22R)-22-[(2S,3R,4R,7S)-3,7-dihydroxy-4-methyldecan-2-yl]-6,14-dihydroxy-5,8,12-trimethyl-1-oxacyclodocosa-4,7,9,11,15,17,19-heptaene-2,13-dione?

The canonical SMILES for (4Z,6R,7Z,9Z,11Z,14R,15Z,17Z,19Z,22R)-22-[(2S,3R,4R,7S)-3,7-dihydroxy-4-methyldecan-2-yl]-6,14-dihydroxy-5,8,12-trimethyl-1-oxacyclodocosa-4,7,9,11,15,17,19-heptaene-2,13-dione is CCC[C@H](O)CC[C@@H](C)[C@@H](O)[C@H](C)[C@H]1C/C=C\C=C/C=C\[C@@H](O)C(=O)/C(C)=C\C=C/C(C)=C\[C@@H](O)/C(C)=C\CC(=O)O1.

What is the InChIKey of (4Z,6R,7Z,9Z,11Z,14R,15Z,17Z,19Z,22R)-22-[(2S,3R,4R,7S)-3,7-dihydroxy-4-methyldecan-2-yl]-6,14-dihydroxy-5,8,12-trimethyl-1-oxacyclodocosa-4,7,9,11,15,17,19-heptaene-2,13-dione?

The InChIKey is QLZKMDGIDCWQSD-ORUUCYKMSA-N. The full InChI is InChI=1S/C35H52O7/c1-7-14-29(36)21-19-27(5)34(40)28(6)32-18-12-10-8-9-11-17-30(37)35(41)26(4)16-13-15-24(2)23-31(38)25(3)20-22-33(39)42-32/h8-13,15-17,20,23,27-32,34,36-38,40H,7,14,18-19,21-22H2,1-6H3/b9-8-,12-10-,15-13-,17-11-,24-23-,25-20-,26-16-/t27-,28-,29+,30-,31-,32-,34-/m1/s1.

What are the key properties of (4Z,6R,7Z,9Z,11Z,14R,15Z,17Z,19Z,22R)-22-[(2S,3R,4R,7S)-3,7-dihydroxy-4-methyldecan-2-yl]-6,14-dihydroxy-5,8,12-trimethyl-1-oxacyclodocosa-4,7,9,11,15,17,19-heptaene-2,13-dione?

(4Z,6R,7Z,9Z,11Z,14R,15Z,17Z,19Z,22R)-22-[(2S,3R,4R,7S)-3,7-dihydroxy-4-methyldecan-2-yl]-6,14-dihydroxy-5,8,12-trimethyl-1-oxacyclodocosa-4,7,9,11,15,17,19-heptaene-2,13-dione has a molecular weight of 584.79 g/mol, XLogP of 5.62, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (4Z,6R,7Z,9Z,11Z,14R,15Z,17Z,19Z,22R)-22-[(2S,3R,4R,7S)-3,7-dihydroxy-4-methyldecan-2-yl]-6,14-dihydroxy-5,8,12-trimethyl-1-oxacyclodocosa-4,7,9,11,15,17,19-heptaene-2,13-dione is sourced from PubChem (CID 162816196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).