3,4,5,19-tetramethoxy-9-methyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-9-ol

C22H26O7 — CID 10408788

IUPAC3,4,5,19-tetramethoxy-9-methyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-9-ol
SMILESCOc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)CCC(C)(O)C2
InChIInChI=1S/C22H26O7/c1-22(23)7-6-12-8-15-19(29-11-28-15)21(27-5)16(12)17-13(10-22)9-14(24-2)18(25-3)20(17)26-4/h8-9,23H,6-7,10-11H2,1-5H3
InChIKeyLDSCGOSWZGCQIV-UHFFFAOYSA-N
MW402.44 g/mol
LogP3.36
Rot. Bonds4

About 3,4,5,19-tetramethoxy-9-methyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-9-ol

3,4,5,19-tetramethoxy-9-methyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-9-ol (PubChem CID 10408788) has the molecular formula C22H26O7 and a molecular weight of 402.44 g/mol. Its IUPAC name is 3,4,5,19-tetramethoxy-9-methyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-9-ol.

Molecular Properties

Compound Name3,4,5,19-tetramethoxy-9-methyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-9-ol
PubChem CID10408788
Molecular FormulaC22H26O7
Molecular Weight402.44 g/mol
Exact Mass402.17
IUPAC Name3,4,5,19-tetramethoxy-9-methyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-9-ol
SMILESCOc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)CCC(C)(O)C2
InChIInChI=1S/C22H26O7/c1-22(23)7-6-12-8-15-19(29-11-28-15)21(27-5)16(12)17-13(10-22)9-14(24-2)18(25-3)20(17)26-4/h8-9,23H,6-7,10-11H2,1-5H3
InChIKeyLDSCGOSWZGCQIV-UHFFFAOYSA-N
XLogP3.36
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3,4,5,19-tetramethoxy-9-methyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-9-ol with MolForge

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Related Compounds

[(9S,10R)-9-(hydroxymethyl)-3,4,5,19-tetramethoxy-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-10-yl]methanol
CID 10972085
(9S,10R)-3,4,5-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-19-ol
CID 14992068
(9R,10S)-3,4,5-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-19-ol
CID 16728078
(8S,9S,10S)-3,4,5,19-tetramethoxy-9,10-dimethyl-8-phenoxy-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-9-ol
CID 163070968
3,4,5,19-tetramethoxy-9,10-dimethyl-8-phenoxy-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-9-ol
CID 78384999
(9S,10S,11S)-3,4,5,19-tetramethoxy-9,10-dimethyl-11-phenoxy-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-10-ol
CID 5317802
[(8R,9R,10R)-9-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl] (E)-2-methylbut-2-enoate
CID 102189868
[(9R,10R,11R)-10-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-yl] 2-methylbut-2-enoate
CID 170924365
(8R,9S,10S)-3,4,5,8,19-pentamethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaene
CID 46192500
[(8S,9S,10S)-9-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl] 4-cyanobenzoate
CID 127048752
(9R)-3,4,5,14,15,16-hexamethoxy-9-methyl-10-methylidenetricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-9-ol
CID 100958787
(8E)-3,4,5,22-tetramethoxy-11,18,20-trioxapentacyclo[13.7.0.02,7.09,13.017,21]docosa-1(22),2,4,6,8,15,17(21)-heptaen-10-one
CID 11091215

Frequently Asked Questions

What is the IUPAC name of 3,4,5,19-tetramethoxy-9-methyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-9-ol?
The IUPAC name of 3,4,5,19-tetramethoxy-9-methyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-9-ol (CID 10408788) is 3,4,5,19-tetramethoxy-9-methyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-9-ol.
What is the SMILES notation for 3,4,5,19-tetramethoxy-9-methyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-9-ol?
The canonical SMILES for 3,4,5,19-tetramethoxy-9-methyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-9-ol is COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)CCC(C)(O)C2.
What is the InChIKey of 3,4,5,19-tetramethoxy-9-methyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-9-ol?
The InChIKey is LDSCGOSWZGCQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O7/c1-22(23)7-6-12-8-15-19(29-11-28-15)21(27-5)16(12)17-13(10-22)9-14(24-2)18(25-3)20(17)26-4/h8-9,23H,6-7,10-11H2,1-5H3.
What are the key properties of 3,4,5,19-tetramethoxy-9-methyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-9-ol?
3,4,5,19-tetramethoxy-9-methyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-9-ol has a molecular weight of 402.44 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,19-tetramethoxy-9-methyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-9-ol is sourced from PubChem (CID 10408788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).