(3Z,6R,10S,13R,14S,15S)-10,14-dihydroxy-6-[(E)-1-[2-(hydroxymethyl)-1,3-oxazol-4-yl]prop-1-en-2-yl]-3,11,11,13,15-pentamethyl-7-oxabicyclo[14.1.0]heptadec-3-ene-8,12-dione

C28H41NO7 — CID 11511727

About (3Z,6R,10S,13R,14S,15S)-10,14-dihydroxy-6-[(E)-1-[2-(hydroxymethyl)-1,3-oxazol-4-yl]prop-1-en-2-yl]-3,11,11,13,15-pentamethyl-7-oxabicyclo[14.1.0]heptadec-3-ene-8,12-dione

(3Z,6R,10S,13R,14S,15S)-10,14-dihydroxy-6-[(E)-1-[2-(hydroxymethyl)-1,3-oxazol-4-yl]prop-1-en-2-yl]-3,11,11,13,15-pentamethyl-7-oxabicyclo[14.1.0]heptadec-3-ene-8,12-dione (PubChem CID 11511727) has the molecular formula C28H41NO7 and a molecular weight of 503.64 g/mol. Its IUPAC name is (3Z,6R,10S,13R,14S,15S)-10,14-dihydroxy-6-[(E)-1-[2-(hydroxymethyl)-1,3-oxazol-4-yl]prop-1-en-2-yl]-3,11,11,13,15-pentamethyl-7-oxabicyclo[14.1.0]heptadec-3-ene-8,12-dione.

Molecular Properties

• Compound Name: (3Z,6R,10S,13R,14S,15S)-10,14-dihydroxy-6-[(E)-1-[2-(hydroxymethyl)-1,3-oxazol-4-yl]prop-1-en-2-yl]-3,11,11,13,15-pentamethyl-7-oxabicyclo[14.1.0]heptadec-3-ene-8,12-dione
• PubChem CID: 11511727
• Molecular Formula: C28H41NO7
• Molecular Weight: 503.64 g/mol
• Exact Mass: 503.29
• IUPAC Name: (3Z,6R,10S,13R,14S,15S)-10,14-dihydroxy-6-[(E)-1-[2-(hydroxymethyl)-1,3-oxazol-4-yl]prop-1-en-2-yl]-3,11,11,13,15-pentamethyl-7-oxabicyclo[14.1.0]heptadec-3-ene-8,12-dione
• SMILES: C/C1=C/C[C@H](/C(C)=C/c2coc(CO)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@@H](C)[C@@H](O)[C@@H](C)C2CC2C1
• InChI: InChI=1S/C28H41NO7/c1-15-7-8-22(16(2)10-20-14-35-24(13-30)29-20)36-25(32)12-23(31)28(5,6)27(34)18(4)26(33)17(3)21-11-19(21)9-15/h7,10,14,17-19,21-23,26,30-31,33H,8-9,11-13H2,1-6H3/b15-7-,16-10+/t17-,18-,19?,21?,22+,23-,26-/m0/s1
• InChIKey: WGIDFLHYQWATQW-JAMVWAQUSA-N
• XLogP: 3.84
• TPSA: 130.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.64
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3Z,6R,10S,13R,14S,15S)-10,14-dihydroxy-6-[(E)-1-[2-(hydroxymethyl)-1,3-oxazol-4-yl]prop-1-en-2-yl]-3,11,11,13,15-pentamethyl-7-oxabicyclo[14.1.0]heptadec-3-ene-8,12-dione?

The IUPAC name of (3Z,6R,10S,13R,14S,15S)-10,14-dihydroxy-6-[(E)-1-[2-(hydroxymethyl)-1,3-oxazol-4-yl]prop-1-en-2-yl]-3,11,11,13,15-pentamethyl-7-oxabicyclo[14.1.0]heptadec-3-ene-8,12-dione (CID 11511727) is (3Z,6R,10S,13R,14S,15S)-10,14-dihydroxy-6-[(E)-1-[2-(hydroxymethyl)-1,3-oxazol-4-yl]prop-1-en-2-yl]-3,11,11,13,15-pentamethyl-7-oxabicyclo[14.1.0]heptadec-3-ene-8,12-dione.

What is the SMILES notation for (3Z,6R,10S,13R,14S,15S)-10,14-dihydroxy-6-[(E)-1-[2-(hydroxymethyl)-1,3-oxazol-4-yl]prop-1-en-2-yl]-3,11,11,13,15-pentamethyl-7-oxabicyclo[14.1.0]heptadec-3-ene-8,12-dione?

The canonical SMILES for (3Z,6R,10S,13R,14S,15S)-10,14-dihydroxy-6-[(E)-1-[2-(hydroxymethyl)-1,3-oxazol-4-yl]prop-1-en-2-yl]-3,11,11,13,15-pentamethyl-7-oxabicyclo[14.1.0]heptadec-3-ene-8,12-dione is C/C1=C/C[C@H](/C(C)=C/c2coc(CO)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@@H](C)[C@@H](O)[C@@H](C)C2CC2C1.

What is the InChIKey of (3Z,6R,10S,13R,14S,15S)-10,14-dihydroxy-6-[(E)-1-[2-(hydroxymethyl)-1,3-oxazol-4-yl]prop-1-en-2-yl]-3,11,11,13,15-pentamethyl-7-oxabicyclo[14.1.0]heptadec-3-ene-8,12-dione?

The InChIKey is WGIDFLHYQWATQW-JAMVWAQUSA-N. The full InChI is InChI=1S/C28H41NO7/c1-15-7-8-22(16(2)10-20-14-35-24(13-30)29-20)36-25(32)12-23(31)28(5,6)27(34)18(4)26(33)17(3)21-11-19(21)9-15/h7,10,14,17-19,21-23,26,30-31,33H,8-9,11-13H2,1-6H3/b15-7-,16-10+/t17-,18-,19?,21?,22+,23-,26-/m0/s1.

What are the key properties of (3Z,6R,10S,13R,14S,15S)-10,14-dihydroxy-6-[(E)-1-[2-(hydroxymethyl)-1,3-oxazol-4-yl]prop-1-en-2-yl]-3,11,11,13,15-pentamethyl-7-oxabicyclo[14.1.0]heptadec-3-ene-8,12-dione?

(3Z,6R,10S,13R,14S,15S)-10,14-dihydroxy-6-[(E)-1-[2-(hydroxymethyl)-1,3-oxazol-4-yl]prop-1-en-2-yl]-3,11,11,13,15-pentamethyl-7-oxabicyclo[14.1.0]heptadec-3-ene-8,12-dione has a molecular weight of 503.64 g/mol, XLogP of 3.84, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3Z,6R,10S,13R,14S,15S)-10,14-dihydroxy-6-[(E)-1-[2-(hydroxymethyl)-1,3-oxazol-4-yl]prop-1-en-2-yl]-3,11,11,13,15-pentamethyl-7-oxabicyclo[14.1.0]heptadec-3-ene-8,12-dione is sourced from PubChem (CID 11511727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).