(4S,6Z,9S,10R,12E)-9,10,18-trihydroxy-16-(methoxymethoxy)-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione

C20H24O8 — CID 59467208

About (4S,6Z,9S,10R,12E)-9,10,18-trihydroxy-16-(methoxymethoxy)-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione

(4S,6Z,9S,10R,12E)-9,10,18-trihydroxy-16-(methoxymethoxy)-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione (PubChem CID 59467208) has the molecular formula C20H24O8 and a molecular weight of 392.40 g/mol. Its IUPAC name is (4S,6Z,9S,10R,12E)-9,10,18-trihydroxy-16-(methoxymethoxy)-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione.

Molecular Properties

• Compound Name: (4S,6Z,9S,10R,12E)-9,10,18-trihydroxy-16-(methoxymethoxy)-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione
• PubChem CID: 59467208
• Molecular Formula: C20H24O8
• Molecular Weight: 392.40 g/mol
• Exact Mass: 392.15
• IUPAC Name: (4S,6Z,9S,10R,12E)-9,10,18-trihydroxy-16-(methoxymethoxy)-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione
• SMILES: COCOc1cc(O)c2c(c1)/C=C/C[C@@H](O)[C@H](O)C(=O)/C=C\C[C@H](C)OC2=O
• InChI: InChI=1S/C20H24O8/c1-12-5-3-7-15(21)19(24)16(22)8-4-6-13-9-14(27-11-26-2)10-17(23)18(13)20(25)28-12/h3-4,6-7,9-10,12,16,19,22-24H,5,8,11H2,1-2H3/b6-4+,7-3-/t12-,16+,19+/m0/s1
• InChIKey: KUZGOWYLENZBJV-WQPLBAEGSA-N
• XLogP: 1.57
• TPSA: 122.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.40
LogP ≤ 5	1.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4S,6Z,9S,10R,12E)-9,10,18-trihydroxy-16-(methoxymethoxy)-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione?

The IUPAC name of (4S,6Z,9S,10R,12E)-9,10,18-trihydroxy-16-(methoxymethoxy)-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione (CID 59467208) is (4S,6Z,9S,10R,12E)-9,10,18-trihydroxy-16-(methoxymethoxy)-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione.

What is the SMILES notation for (4S,6Z,9S,10R,12E)-9,10,18-trihydroxy-16-(methoxymethoxy)-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione?

The canonical SMILES for (4S,6Z,9S,10R,12E)-9,10,18-trihydroxy-16-(methoxymethoxy)-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione is COCOc1cc(O)c2c(c1)/C=C/C[C@@H](O)[C@H](O)C(=O)/C=C\C[C@H](C)OC2=O.

What is the InChIKey of (4S,6Z,9S,10R,12E)-9,10,18-trihydroxy-16-(methoxymethoxy)-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione?

The InChIKey is KUZGOWYLENZBJV-WQPLBAEGSA-N. The full InChI is InChI=1S/C20H24O8/c1-12-5-3-7-15(21)19(24)16(22)8-4-6-13-9-14(27-11-26-2)10-17(23)18(13)20(25)28-12/h3-4,6-7,9-10,12,16,19,22-24H,5,8,11H2,1-2H3/b6-4+,7-3-/t12-,16+,19+/m0/s1.

What are the key properties of (4S,6Z,9S,10R,12E)-9,10,18-trihydroxy-16-(methoxymethoxy)-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione?

(4S,6Z,9S,10R,12E)-9,10,18-trihydroxy-16-(methoxymethoxy)-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione has a molecular weight of 392.40 g/mol, XLogP of 1.57, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (4S,6Z,9S,10R,12E)-9,10,18-trihydroxy-16-(methoxymethoxy)-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione is sourced from PubChem (CID 59467208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).