(4R,5S,6S,7S,9R,11E,13E,16R)-7-ethyl-4,6-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione

C20H32O6 — CID 5282093

IUPAC(4R,5S,6S,7S,9R,11E,13E,16R)-7-ethyl-4,6-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione
SMILESCC[C@H]1C[C@@H](C)C(=O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@@H](O)[C@H](OC)[C@H]1O
InChIInChI=1S/C20H32O6/c1-5-15-11-13(2)16(21)10-8-6-7-9-14(3)26-18(23)12-17(22)20(25-4)19(15)24/h6-8,10,13-15,17,19-20,22,24H,5,9,11-12H2,1-4H3/b7-6+,10-8+/t13-,14-,15+,17-,19+,20+/m1/s1
InChIKeyVWVDRJWACDDRKD-SECFAUQFSA-N
MW368.47 g/mol
LogP2.18
Rot. Bonds2

About (4R,5S,6S,7S,9R,11E,13E,16R)-7-ethyl-4,6-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione

(4R,5S,6S,7S,9R,11E,13E,16R)-7-ethyl-4,6-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione (PubChem CID 5282093) has the molecular formula C20H32O6 and a molecular weight of 368.47 g/mol. Its IUPAC name is (4R,5S,6S,7S,9R,11E,13E,16R)-7-ethyl-4,6-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione.

Molecular Properties

Compound Name(4R,5S,6S,7S,9R,11E,13E,16R)-7-ethyl-4,6-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione
PubChem CID5282093
Molecular FormulaC20H32O6
Molecular Weight368.47 g/mol
Exact Mass368.22
IUPAC Name(4R,5S,6S,7S,9R,11E,13E,16R)-7-ethyl-4,6-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione
SMILESCC[C@H]1C[C@@H](C)C(=O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@@H](O)[C@H](OC)[C@H]1O
InChIInChI=1S/C20H32O6/c1-5-15-11-13(2)16(21)10-8-6-7-9-14(3)26-18(23)12-17(22)20(25-4)19(15)24/h6-8,10,13-15,17,19-20,22,24H,5,9,11-12H2,1-4H3/b7-6+,10-8+/t13-,14-,15+,17-,19+,20+/m1/s1
InChIKeyVWVDRJWACDDRKD-SECFAUQFSA-N
XLogP2.18
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4R,5S,6S,7S,9R,11E,13E,16R)-7-ethyl-4,6-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R,5S,6S,7S,9R,11E,13E,16R)-7-ethyl-4,6-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione?
The IUPAC name of (4R,5S,6S,7S,9R,11E,13E,16R)-7-ethyl-4,6-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione (CID 5282093) is (4R,5S,6S,7S,9R,11E,13E,16R)-7-ethyl-4,6-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione.
What is the SMILES notation for (4R,5S,6S,7S,9R,11E,13E,16R)-7-ethyl-4,6-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione?
The canonical SMILES for (4R,5S,6S,7S,9R,11E,13E,16R)-7-ethyl-4,6-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione is CC[C@H]1C[C@@H](C)C(=O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@@H](O)[C@H](OC)[C@H]1O.
What is the InChIKey of (4R,5S,6S,7S,9R,11E,13E,16R)-7-ethyl-4,6-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione?
The InChIKey is VWVDRJWACDDRKD-SECFAUQFSA-N. The full InChI is InChI=1S/C20H32O6/c1-5-15-11-13(2)16(21)10-8-6-7-9-14(3)26-18(23)12-17(22)20(25-4)19(15)24/h6-8,10,13-15,17,19-20,22,24H,5,9,11-12H2,1-4H3/b7-6+,10-8+/t13-,14-,15+,17-,19+,20+/m1/s1.
What are the key properties of (4R,5S,6S,7S,9R,11E,13E,16R)-7-ethyl-4,6-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione?
(4R,5S,6S,7S,9R,11E,13E,16R)-7-ethyl-4,6-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione has a molecular weight of 368.47 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S,6S,7S,9R,11E,13E,16R)-7-ethyl-4,6-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione is sourced from PubChem (CID 5282093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).