(5S,6S,8Z,10R,11S)-5,6,15-trihydroxy-10-(methoxymethoxy)-11,17-dimethyl-2,12-dioxabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraene-7,13-dione

C20H26O9 — CID 58304841

IUPAC(5S,6S,8Z,10R,11S)-5,6,15-trihydroxy-10-(methoxymethoxy)-11,17-dimethyl-2,12-dioxabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraene-7,13-dione
SMILESCOCO[C@@H]1/C=C\C(=O)[C@@H](O)[C@@H](O)CCOc2cc(C)cc(O)c2C(=O)O[C@H]1C
InChIInChI=1S/C20H26O9/c1-11-8-15(23)18-17(9-11)27-7-6-14(22)19(24)13(21)4-5-16(28-10-26-3)12(2)29-20(18)25/h4-5,8-9,12,14,16,19,22-24H,6-7,10H2,1-3H3/b5-4-/t12-,14-,16+,19+/m0/s1
InChIKeyQYQFUHVPXHYNCZ-LWGIAWOGSA-N
MW410.42 g/mol
LogP0.86
Rot. Bonds3

About (5S,6S,8Z,10R,11S)-5,6,15-trihydroxy-10-(methoxymethoxy)-11,17-dimethyl-2,12-dioxabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraene-7,13-dione

(5S,6S,8Z,10R,11S)-5,6,15-trihydroxy-10-(methoxymethoxy)-11,17-dimethyl-2,12-dioxabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraene-7,13-dione (PubChem CID 58304841) has the molecular formula C20H26O9 and a molecular weight of 410.42 g/mol. Its IUPAC name is (5S,6S,8Z,10R,11S)-5,6,15-trihydroxy-10-(methoxymethoxy)-11,17-dimethyl-2,12-dioxabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraene-7,13-dione.

Molecular Properties

Compound Name(5S,6S,8Z,10R,11S)-5,6,15-trihydroxy-10-(methoxymethoxy)-11,17-dimethyl-2,12-dioxabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraene-7,13-dione
PubChem CID58304841
Molecular FormulaC20H26O9
Molecular Weight410.42 g/mol
Exact Mass410.16
IUPAC Name(5S,6S,8Z,10R,11S)-5,6,15-trihydroxy-10-(methoxymethoxy)-11,17-dimethyl-2,12-dioxabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraene-7,13-dione
SMILESCOCO[C@@H]1/C=C\C(=O)[C@@H](O)[C@@H](O)CCOc2cc(C)cc(O)c2C(=O)O[C@H]1C
InChIInChI=1S/C20H26O9/c1-11-8-15(23)18-17(9-11)27-7-6-14(22)19(24)13(21)4-5-16(28-10-26-3)12(2)29-20(18)25/h4-5,8-9,12,14,16,19,22-24H,6-7,10H2,1-3H3/b5-4-/t12-,14-,16+,19+/m0/s1
InChIKeyQYQFUHVPXHYNCZ-LWGIAWOGSA-N
XLogP0.86
TPSA131.75 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (5S,6S,8Z,10R,11S)-5,6,15-trihydroxy-10-(methoxymethoxy)-11,17-dimethyl-2,12-dioxabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraene-7,13-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S,6S,8Z,10R,11S)-5,6,15-trihydroxy-10-(methoxymethoxy)-11,17-dimethyl-2,12-dioxabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraene-7,13-dione?
The IUPAC name of (5S,6S,8Z,10R,11S)-5,6,15-trihydroxy-10-(methoxymethoxy)-11,17-dimethyl-2,12-dioxabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraene-7,13-dione (CID 58304841) is (5S,6S,8Z,10R,11S)-5,6,15-trihydroxy-10-(methoxymethoxy)-11,17-dimethyl-2,12-dioxabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraene-7,13-dione.
What is the SMILES notation for (5S,6S,8Z,10R,11S)-5,6,15-trihydroxy-10-(methoxymethoxy)-11,17-dimethyl-2,12-dioxabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraene-7,13-dione?
The canonical SMILES for (5S,6S,8Z,10R,11S)-5,6,15-trihydroxy-10-(methoxymethoxy)-11,17-dimethyl-2,12-dioxabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraene-7,13-dione is COCO[C@@H]1/C=C\C(=O)[C@@H](O)[C@@H](O)CCOc2cc(C)cc(O)c2C(=O)O[C@H]1C.
What is the InChIKey of (5S,6S,8Z,10R,11S)-5,6,15-trihydroxy-10-(methoxymethoxy)-11,17-dimethyl-2,12-dioxabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraene-7,13-dione?
The InChIKey is QYQFUHVPXHYNCZ-LWGIAWOGSA-N. The full InChI is InChI=1S/C20H26O9/c1-11-8-15(23)18-17(9-11)27-7-6-14(22)19(24)13(21)4-5-16(28-10-26-3)12(2)29-20(18)25/h4-5,8-9,12,14,16,19,22-24H,6-7,10H2,1-3H3/b5-4-/t12-,14-,16+,19+/m0/s1.
What are the key properties of (5S,6S,8Z,10R,11S)-5,6,15-trihydroxy-10-(methoxymethoxy)-11,17-dimethyl-2,12-dioxabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraene-7,13-dione?
(5S,6S,8Z,10R,11S)-5,6,15-trihydroxy-10-(methoxymethoxy)-11,17-dimethyl-2,12-dioxabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraene-7,13-dione has a molecular weight of 410.42 g/mol, XLogP of 0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S,8Z,10R,11S)-5,6,15-trihydroxy-10-(methoxymethoxy)-11,17-dimethyl-2,12-dioxabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraene-7,13-dione is sourced from PubChem (CID 58304841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).