(3Z,5S,6S,7S,9R,11Z,13Z,15S,16R)-16-ethyl-6,15-dihydroxy-15-(hydroxymethyl)-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione

C21H32O6 — CID 6444053

IUPAC(3Z,5S,6S,7S,9R,11Z,13Z,15S,16R)-16-ethyl-6,15-dihydroxy-15-(hydroxymethyl)-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
SMILESCC[C@H]1OC(=O)/C=C\[C@H](C)[C@@H](O)[C@@H](C)C[C@@H](C)C(=O)/C=C\C=C/[C@]1(O)CO
InChIInChI=1S/C21H32O6/c1-5-18-21(26,13-22)11-7-6-8-17(23)15(3)12-16(4)20(25)14(2)9-10-19(24)27-18/h6-11,14-16,18,20,22,25-26H,5,12-13H2,1-4H3/b8-6-,10-9-,11-7-/t14-,15+,16-,18+,20+,21-/m0/s1
InChIKeyGMBJPKQJNVRIQM-SFJONRDKSA-N
MW380.48 g/mol
LogP1.94
Rot. Bonds2

About (3Z,5S,6S,7S,9R,11Z,13Z,15S,16R)-16-ethyl-6,15-dihydroxy-15-(hydroxymethyl)-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione

(3Z,5S,6S,7S,9R,11Z,13Z,15S,16R)-16-ethyl-6,15-dihydroxy-15-(hydroxymethyl)-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione (PubChem CID 6444053) has the molecular formula C21H32O6 and a molecular weight of 380.48 g/mol. Its IUPAC name is (3Z,5S,6S,7S,9R,11Z,13Z,15S,16R)-16-ethyl-6,15-dihydroxy-15-(hydroxymethyl)-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione.

Molecular Properties

Compound Name(3Z,5S,6S,7S,9R,11Z,13Z,15S,16R)-16-ethyl-6,15-dihydroxy-15-(hydroxymethyl)-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
PubChem CID6444053
Molecular FormulaC21H32O6
Molecular Weight380.48 g/mol
Exact Mass380.22
IUPAC Name(3Z,5S,6S,7S,9R,11Z,13Z,15S,16R)-16-ethyl-6,15-dihydroxy-15-(hydroxymethyl)-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
SMILESCC[C@H]1OC(=O)/C=C\[C@H](C)[C@@H](O)[C@@H](C)C[C@@H](C)C(=O)/C=C\C=C/[C@]1(O)CO
InChIInChI=1S/C21H32O6/c1-5-18-21(26,13-22)11-7-6-8-17(23)15(3)12-16(4)20(25)14(2)9-10-19(24)27-18/h6-11,14-16,18,20,22,25-26H,5,12-13H2,1-4H3/b8-6-,10-9-,11-7-/t14-,15+,16-,18+,20+,21-/m0/s1
InChIKeyGMBJPKQJNVRIQM-SFJONRDKSA-N
XLogP1.94
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3Z,5S,6S,7S,9R,11Z,13Z,15S,16R)-16-ethyl-6,15-dihydroxy-15-(hydroxymethyl)-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3Z,5S,6S,7S,9R,11Z,13Z,15S,16R)-16-ethyl-6,15-dihydroxy-15-(hydroxymethyl)-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione?
The IUPAC name of (3Z,5S,6S,7S,9R,11Z,13Z,15S,16R)-16-ethyl-6,15-dihydroxy-15-(hydroxymethyl)-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione (CID 6444053) is (3Z,5S,6S,7S,9R,11Z,13Z,15S,16R)-16-ethyl-6,15-dihydroxy-15-(hydroxymethyl)-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione.
What is the SMILES notation for (3Z,5S,6S,7S,9R,11Z,13Z,15S,16R)-16-ethyl-6,15-dihydroxy-15-(hydroxymethyl)-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione?
The canonical SMILES for (3Z,5S,6S,7S,9R,11Z,13Z,15S,16R)-16-ethyl-6,15-dihydroxy-15-(hydroxymethyl)-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione is CC[C@H]1OC(=O)/C=C\[C@H](C)[C@@H](O)[C@@H](C)C[C@@H](C)C(=O)/C=C\C=C/[C@]1(O)CO.
What is the InChIKey of (3Z,5S,6S,7S,9R,11Z,13Z,15S,16R)-16-ethyl-6,15-dihydroxy-15-(hydroxymethyl)-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione?
The InChIKey is GMBJPKQJNVRIQM-SFJONRDKSA-N. The full InChI is InChI=1S/C21H32O6/c1-5-18-21(26,13-22)11-7-6-8-17(23)15(3)12-16(4)20(25)14(2)9-10-19(24)27-18/h6-11,14-16,18,20,22,25-26H,5,12-13H2,1-4H3/b8-6-,10-9-,11-7-/t14-,15+,16-,18+,20+,21-/m0/s1.
What are the key properties of (3Z,5S,6S,7S,9R,11Z,13Z,15S,16R)-16-ethyl-6,15-dihydroxy-15-(hydroxymethyl)-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione?
(3Z,5S,6S,7S,9R,11Z,13Z,15S,16R)-16-ethyl-6,15-dihydroxy-15-(hydroxymethyl)-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione has a molecular weight of 380.48 g/mol, XLogP of 1.94, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5S,6S,7S,9R,11Z,13Z,15S,16R)-16-ethyl-6,15-dihydroxy-15-(hydroxymethyl)-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione is sourced from PubChem (CID 6444053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).