(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

C20H22O7 — CID 56590221

IUPAC(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
SMILESCOc1ccc2c(OC)c3c(c(OC)c2c1OC)[C@@H](C)O[C@@H]1CC(=O)O[C@H]31
InChIInChI=1S/C20H22O7/c1-9-14-16(19-12(26-9)8-13(21)27-19)17(23-3)10-6-7-11(22-2)18(24-4)15(10)20(14)25-5/h6-7,9,12,19H,8H2,1-5H3/t9-,12-,19+/m1/s1
InChIKeyREMXYFUORROQDG-VVSLUIPWSA-N
MW374.39 g/mol
LogP3.32
Rot. Bonds4

About (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

(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 (PubChem CID 56590221) has the molecular formula C20H22O7 and a molecular weight of 374.39 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID56590221
Molecular FormulaC20H22O7
Molecular Weight374.39 g/mol
Exact Mass374.14
IUPAC Name(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
SMILESCOc1ccc2c(OC)c3c(c(OC)c2c1OC)[C@@H](C)O[C@@H]1CC(=O)O[C@H]31
InChIInChI=1S/C20H22O7/c1-9-14-16(19-12(26-9)8-13(21)27-19)17(23-3)10-6-7-11(22-2)18(24-4)15(10)20(14)25-5/h6-7,9,12,19H,8H2,1-5H3/t9-,12-,19+/m1/s1
InChIKeyREMXYFUORROQDG-VVSLUIPWSA-N
XLogP3.32
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Related Compounds

(3aS,5R,9bS)-6,9-dimethoxy-5-methyl-3,3a,5,9b-tetrahydrofuro[3,2-c]isochromen-2-one
CID 71578620
(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
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
(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
(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-(1,4,5,8-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
(4R,5R)-4-hydroxy-5-(1,4,5-trimethoxynaphthalen-2-yl)oxolan-2-one
CID 11267116
(1S,3S)-5,9,10-trimethoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene
CID 25111421
(2S,3R)-2-(2,3-dimethoxyphenyl)-5-oxooxolane-3-carboxylic acid
CID 97034788
2,3-dimethoxybicyclo[4.1.0]hepta-1(6),2,4-trien-7-one
CID 174869830
(4R,5R)-5-(6-bromo-1,4,5,8-tetramethoxynaphthalen-2-yl)-4-hydroxyoxolan-2-one
CID 134955869

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1ccc2c(OC)c3c(c(OC)c2c1OC)[C@@H](C)O[C@@H]1CC(=O)O[C@H]31.
What is the InChIKey of (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?
The InChIKey is REMXYFUORROQDG-VVSLUIPWSA-N. The full InChI is InChI=1S/C20H22O7/c1-9-14-16(19-12(26-9)8-13(21)27-19)17(23-3)10-6-7-11(22-2)18(24-4)15(10)20(14)25-5/h6-7,9,12,19H,8H2,1-5H3/t9-,12-,19+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 374.39 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 56590221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).