(4'R,6S,7S,7'S,8E,10Z)-4',7'-dihydroxy-6-methylspiro[4,6-dihydro-3H-cyclodeca[c]furan-7,6'-5,7-dihydro-4H-1-benzofuran]-1,5-dione

C20H20O6 — CID 122400136

IUPAC(4'R,6S,7S,7'S,8E,10Z)-4',7'-dihydroxy-6-methylspiro[4,6-dihydro-3H-cyclodeca[c]furan-7,6'-5,7-dihydro-4H-1-benzofuran]-1,5-dione
SMILESC[C@@H]1C(=O)CC2=C(/C=C\C=C\[C@@]13C[C@@H](O)c1ccoc1[C@H]3O)C(=O)OC2
InChIInChI=1S/C20H20O6/c1-11-15(21)8-12-10-26-19(24)13(12)4-2-3-6-20(11)9-16(22)14-5-7-25-17(14)18(20)23/h2-7,11,16,18,22-23H,8-10H2,1H3/b4-2-,6-3+/t11-,16-,18-,20-/m1/s1
InChIKeyXDVQNSISBBSZIG-HBENTWFFSA-N
MW356.37 g/mol
LogP2.31
Rot. Bonds

About (4'R,6S,7S,7'S,8E,10Z)-4',7'-dihydroxy-6-methylspiro[4,6-dihydro-3H-cyclodeca[c]furan-7,6'-5,7-dihydro-4H-1-benzofuran]-1,5-dione

(4'R,6S,7S,7'S,8E,10Z)-4',7'-dihydroxy-6-methylspiro[4,6-dihydro-3H-cyclodeca[c]furan-7,6'-5,7-dihydro-4H-1-benzofuran]-1,5-dione (PubChem CID 122400136) has the molecular formula C20H20O6 and a molecular weight of 356.37 g/mol. Its IUPAC name is (4'R,6S,7S,7'S,8E,10Z)-4',7'-dihydroxy-6-methylspiro[4,6-dihydro-3H-cyclodeca[c]furan-7,6'-5,7-dihydro-4H-1-benzofuran]-1,5-dione.

Molecular Properties

Compound Name(4'R,6S,7S,7'S,8E,10Z)-4',7'-dihydroxy-6-methylspiro[4,6-dihydro-3H-cyclodeca[c]furan-7,6'-5,7-dihydro-4H-1-benzofuran]-1,5-dione
PubChem CID122400136
Molecular FormulaC20H20O6
Molecular Weight356.37 g/mol
Exact Mass356.13
IUPAC Name(4'R,6S,7S,7'S,8E,10Z)-4',7'-dihydroxy-6-methylspiro[4,6-dihydro-3H-cyclodeca[c]furan-7,6'-5,7-dihydro-4H-1-benzofuran]-1,5-dione
SMILESC[C@@H]1C(=O)CC2=C(/C=C\C=C\[C@@]13C[C@@H](O)c1ccoc1[C@H]3O)C(=O)OC2
InChIInChI=1S/C20H20O6/c1-11-15(21)8-12-10-26-19(24)13(12)4-2-3-6-20(11)9-16(22)14-5-7-25-17(14)18(20)23/h2-7,11,16,18,22-23H,8-10H2,1H3/b4-2-,6-3+/t11-,16-,18-,20-/m1/s1
InChIKeyXDVQNSISBBSZIG-HBENTWFFSA-N
XLogP2.31
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4'R,6S,7S,7'S,8E,10Z)-4',7'-dihydroxy-6-methylspiro[4,6-dihydro-3H-cyclodeca[c]furan-7,6'-5,7-dihydro-4H-1-benzofuran]-1,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4'R,6S,7S,7'S,8E,10Z)-4',7'-dihydroxy-6-methylspiro[4,6-dihydro-3H-cyclodeca[c]furan-7,6'-5,7-dihydro-4H-1-benzofuran]-1,5-dione?
The IUPAC name of (4'R,6S,7S,7'S,8E,10Z)-4',7'-dihydroxy-6-methylspiro[4,6-dihydro-3H-cyclodeca[c]furan-7,6'-5,7-dihydro-4H-1-benzofuran]-1,5-dione (CID 122400136) is (4'R,6S,7S,7'S,8E,10Z)-4',7'-dihydroxy-6-methylspiro[4,6-dihydro-3H-cyclodeca[c]furan-7,6'-5,7-dihydro-4H-1-benzofuran]-1,5-dione.
What is the SMILES notation for (4'R,6S,7S,7'S,8E,10Z)-4',7'-dihydroxy-6-methylspiro[4,6-dihydro-3H-cyclodeca[c]furan-7,6'-5,7-dihydro-4H-1-benzofuran]-1,5-dione?
The canonical SMILES for (4'R,6S,7S,7'S,8E,10Z)-4',7'-dihydroxy-6-methylspiro[4,6-dihydro-3H-cyclodeca[c]furan-7,6'-5,7-dihydro-4H-1-benzofuran]-1,5-dione is C[C@@H]1C(=O)CC2=C(/C=C\C=C\[C@@]13C[C@@H](O)c1ccoc1[C@H]3O)C(=O)OC2.
What is the InChIKey of (4'R,6S,7S,7'S,8E,10Z)-4',7'-dihydroxy-6-methylspiro[4,6-dihydro-3H-cyclodeca[c]furan-7,6'-5,7-dihydro-4H-1-benzofuran]-1,5-dione?
The InChIKey is XDVQNSISBBSZIG-HBENTWFFSA-N. The full InChI is InChI=1S/C20H20O6/c1-11-15(21)8-12-10-26-19(24)13(12)4-2-3-6-20(11)9-16(22)14-5-7-25-17(14)18(20)23/h2-7,11,16,18,22-23H,8-10H2,1H3/b4-2-,6-3+/t11-,16-,18-,20-/m1/s1.
What are the key properties of (4'R,6S,7S,7'S,8E,10Z)-4',7'-dihydroxy-6-methylspiro[4,6-dihydro-3H-cyclodeca[c]furan-7,6'-5,7-dihydro-4H-1-benzofuran]-1,5-dione?
(4'R,6S,7S,7'S,8E,10Z)-4',7'-dihydroxy-6-methylspiro[4,6-dihydro-3H-cyclodeca[c]furan-7,6'-5,7-dihydro-4H-1-benzofuran]-1,5-dione has a molecular weight of 356.37 g/mol, XLogP of 2.31, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4'R,6S,7S,7'S,8E,10Z)-4',7'-dihydroxy-6-methylspiro[4,6-dihydro-3H-cyclodeca[c]furan-7,6'-5,7-dihydro-4H-1-benzofuran]-1,5-dione is sourced from PubChem (CID 122400136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).