(11R,15R)-2,4,9,17-tetramethoxy-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),4,6,9-pentaen-13-one

C19H20O7 — CID 72724374

IUPAC(11R,15R)-2,4,9,17-tetramethoxy-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),4,6,9-pentaen-13-one
SMILESCOc1c2c(c(OC)c3c(OC)cccc13)C(OC)O[C@@H]1CC(=O)O[C@H]21
InChIInChI=1S/C19H20O7/c1-21-10-7-5-6-9-13(10)18(23-3)15-14(16(9)22-2)17-11(8-12(20)26-17)25-19(15)24-4/h5-7,11,17,19H,8H2,1-4H3/t11-,17+,19?/m1/s1
InChIKeyDNNIXGJCWYTYCE-HCUPATASSA-N
MW360.36 g/mol
LogP2.90
Rot. Bonds4

About (11R,15R)-2,4,9,17-tetramethoxy-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),4,6,9-pentaen-13-one

(11R,15R)-2,4,9,17-tetramethoxy-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),4,6,9-pentaen-13-one (PubChem CID 72724374) has the molecular formula C19H20O7 and a molecular weight of 360.36 g/mol. Its IUPAC name is (11R,15R)-2,4,9,17-tetramethoxy-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),4,6,9-pentaen-13-one.

Molecular Properties

Compound Name(11R,15R)-2,4,9,17-tetramethoxy-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),4,6,9-pentaen-13-one
PubChem CID72724374
Molecular FormulaC19H20O7
Molecular Weight360.36 g/mol
Exact Mass360.12
IUPAC Name(11R,15R)-2,4,9,17-tetramethoxy-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),4,6,9-pentaen-13-one
SMILESCOc1c2c(c(OC)c3c(OC)cccc13)C(OC)O[C@@H]1CC(=O)O[C@H]21
InChIInChI=1S/C19H20O7/c1-21-10-7-5-6-9-13(10)18(23-3)15-14(16(9)22-2)17-11(8-12(20)26-17)25-19(15)24-4/h5-7,11,17,19H,8H2,1-4H3/t11-,17+,19?/m1/s1
InChIKeyDNNIXGJCWYTYCE-HCUPATASSA-N
XLogP2.90
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (11R,15R)-2,4,9,17-tetramethoxy-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),4,6,9-pentaen-13-one with MolForge

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Related Compounds

(11R,15R,17R)-2,4,5,9-tetramethoxy-17-methyl-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),4,6,9-pentaen-13-one
CID 56590221
(11R,15R,17S)-17-ethyl-4-hydroxy-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6-tetraene-2,9,13-trione;(11R,15R,17S)-17-ethyl-2,4,9-trimethoxy-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),4,6,9-pentaen-13-one
CID 159712122
(4R,5R)-4-hydroxy-5-(1,4,5-trimethoxynaphthalen-2-yl)oxolan-2-one
CID 11267116
(3aS,5R,9bS)-6,9-dimethoxy-5-methyl-3,3a,5,9b-tetrahydrofuro[3,2-c]isochromen-2-one
CID 71578620
(11R,15R,17S)-2,9-dimethoxy-17-thiophen-2-yl-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9-pentaen-13-one
CID 42624509
(1S,3S)-5,9,10-trimethoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene
CID 25111421
4,5-dimethoxy-1-methyl-2H-isoquinolin-3-one
CID 123546293
tert-butyl (2S)-2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonyloxy]ethyl]-5-[(11S,15S,17S)-2,4,9-trimethoxy-17-methyl-13-oxo-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9-pentaen-7-yl]pyrrolidine-1-carboxylate
CID 11354308
(4R,5R)-4-hydroxy-5-(1,4,5,8-tetramethoxynaphthalen-2-yl)oxolan-2-one
CID 154707005
(11R,15R)-9-acetyl-8-hydroxy-3,6-dimethoxy-12,16-dioxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-13-one
CID 11013340
(4aS,11aR)-5,9,10-trimethoxy-2-methyl-4a,11a-dihydro-4H-benzo[b]fluorene-3,11-dione
CID 12037238
(2S,3R)-2-(2,3-dimethoxyphenyl)-5-oxooxolane-3-carboxylic acid
CID 97034788

Frequently Asked Questions

What is the IUPAC name of (11R,15R)-2,4,9,17-tetramethoxy-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),4,6,9-pentaen-13-one?
The IUPAC name of (11R,15R)-2,4,9,17-tetramethoxy-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),4,6,9-pentaen-13-one (CID 72724374) is (11R,15R)-2,4,9,17-tetramethoxy-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),4,6,9-pentaen-13-one.
What is the SMILES notation for (11R,15R)-2,4,9,17-tetramethoxy-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),4,6,9-pentaen-13-one?
The canonical SMILES for (11R,15R)-2,4,9,17-tetramethoxy-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),4,6,9-pentaen-13-one is COc1c2c(c(OC)c3c(OC)cccc13)C(OC)O[C@@H]1CC(=O)O[C@H]21.
What is the InChIKey of (11R,15R)-2,4,9,17-tetramethoxy-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),4,6,9-pentaen-13-one?
The InChIKey is DNNIXGJCWYTYCE-HCUPATASSA-N. The full InChI is InChI=1S/C19H20O7/c1-21-10-7-5-6-9-13(10)18(23-3)15-14(16(9)22-2)17-11(8-12(20)26-17)25-19(15)24-4/h5-7,11,17,19H,8H2,1-4H3/t11-,17+,19?/m1/s1.
What are the key properties of (11R,15R)-2,4,9,17-tetramethoxy-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),4,6,9-pentaen-13-one?
(11R,15R)-2,4,9,17-tetramethoxy-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),4,6,9-pentaen-13-one has a molecular weight of 360.36 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (11R,15R)-2,4,9,17-tetramethoxy-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),4,6,9-pentaen-13-one is sourced from PubChem (CID 72724374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).