(2Z,6S,10R,11E,14R)-18,20-dimethoxy-8,8,14-trimethyl-7,9,15-trioxatricyclo[15.4.0.06,10]henicosa-1(17),2,11,18,20-pentaen-16-one

C23H30O6 — CID 11003944

IUPAC(2Z,6S,10R,11E,14R)-18,20-dimethoxy-8,8,14-trimethyl-7,9,15-trioxatricyclo[15.4.0.06,10]henicosa-1(17),2,11,18,20-pentaen-16-one
SMILESCOc1cc2c(c(OC)c1)C(=O)O[C@H](C)C/C=C/[C@H]1OC(C)(C)O[C@H]1CC/C=C\2
InChIInChI=1S/C23H30O6/c1-15-9-8-12-19-18(28-23(2,3)29-19)11-7-6-10-16-13-17(25-4)14-20(26-5)21(16)22(24)27-15/h6,8,10,12-15,18-19H,7,9,11H2,1-5H3/b10-6-,12-8+/t15-,18+,19-/m1/s1
InChIKeyQTDJFPOVMYKEBR-ATJMQWOFSA-N
MW402.49 g/mol
LogP4.52
Rot. Bonds2

About (2Z,6S,10R,11E,14R)-18,20-dimethoxy-8,8,14-trimethyl-7,9,15-trioxatricyclo[15.4.0.06,10]henicosa-1(17),2,11,18,20-pentaen-16-one

(2Z,6S,10R,11E,14R)-18,20-dimethoxy-8,8,14-trimethyl-7,9,15-trioxatricyclo[15.4.0.06,10]henicosa-1(17),2,11,18,20-pentaen-16-one (PubChem CID 11003944) has the molecular formula C23H30O6 and a molecular weight of 402.49 g/mol. Its IUPAC name is (2Z,6S,10R,11E,14R)-18,20-dimethoxy-8,8,14-trimethyl-7,9,15-trioxatricyclo[15.4.0.06,10]henicosa-1(17),2,11,18,20-pentaen-16-one.

Molecular Properties

Compound Name(2Z,6S,10R,11E,14R)-18,20-dimethoxy-8,8,14-trimethyl-7,9,15-trioxatricyclo[15.4.0.06,10]henicosa-1(17),2,11,18,20-pentaen-16-one
PubChem CID11003944
Molecular FormulaC23H30O6
Molecular Weight402.49 g/mol
Exact Mass402.20
IUPAC Name(2Z,6S,10R,11E,14R)-18,20-dimethoxy-8,8,14-trimethyl-7,9,15-trioxatricyclo[15.4.0.06,10]henicosa-1(17),2,11,18,20-pentaen-16-one
SMILESCOc1cc2c(c(OC)c1)C(=O)O[C@H](C)C/C=C/[C@H]1OC(C)(C)O[C@H]1CC/C=C\2
InChIInChI=1S/C23H30O6/c1-15-9-8-12-19-18(28-23(2,3)29-19)11-7-6-10-16-13-17(25-4)14-20(26-5)21(16)22(24)27-15/h6,8,10,12-15,18-19H,7,9,11H2,1-5H3/b10-6-,12-8+/t15-,18+,19-/m1/s1
InChIKeyQTDJFPOVMYKEBR-ATJMQWOFSA-N
XLogP4.52
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2Z,6S,10R,11E,14R)-18,20-dimethoxy-8,8,14-trimethyl-7,9,15-trioxatricyclo[15.4.0.06,10]henicosa-1(17),2,11,18,20-pentaen-16-one with MolForge

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Related Compounds

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(2E,5S,11E)-11-fluoro-20-methoxy-18-(methoxymethoxy)-7,7,14-trimethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaene-10,16-dione
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(5R,11Z)-20-methoxy-18-(methoxymethoxy)-7,7,14-trimethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),11,18,20-tetraene-10,16-dione
CID 58750064
18,20-dihydroxy-8,8,14-trimethyl-7,9,15-trioxatricyclo[15.4.0.06,10]henicosa-1(17),2,18,20-tetraen-16-one
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(4S,6Z,10S,12E)-8,9,10,18-tetrahydroxy-16-methoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-2-one
CID 163462212
(5S,11Z)-10-hydroxy-20-methoxy-18-(methoxymethoxy)-7,7,14-trimethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),11,18,20-tetraen-16-one;(5S,11Z)-20-methoxy-18-(methoxymethoxy)-7,7,14-trimethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),11,18,20-tetraene-10,16-dione
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(4S)-18-hydroxy-16-methoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8,9-trione
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(5S)-10-hydroxy-20-methoxy-18-(methoxymethoxy)-7,7,14-trimethyl-13-(trifluoromethyl)-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-16-one
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(14S)-11-fluoro-20-methoxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,12,18,20-pentaene-10,16-dione
CID 91610549

Frequently Asked Questions

What is the IUPAC name of (2Z,6S,10R,11E,14R)-18,20-dimethoxy-8,8,14-trimethyl-7,9,15-trioxatricyclo[15.4.0.06,10]henicosa-1(17),2,11,18,20-pentaen-16-one?
The IUPAC name of (2Z,6S,10R,11E,14R)-18,20-dimethoxy-8,8,14-trimethyl-7,9,15-trioxatricyclo[15.4.0.06,10]henicosa-1(17),2,11,18,20-pentaen-16-one (CID 11003944) is (2Z,6S,10R,11E,14R)-18,20-dimethoxy-8,8,14-trimethyl-7,9,15-trioxatricyclo[15.4.0.06,10]henicosa-1(17),2,11,18,20-pentaen-16-one.
What is the SMILES notation for (2Z,6S,10R,11E,14R)-18,20-dimethoxy-8,8,14-trimethyl-7,9,15-trioxatricyclo[15.4.0.06,10]henicosa-1(17),2,11,18,20-pentaen-16-one?
The canonical SMILES for (2Z,6S,10R,11E,14R)-18,20-dimethoxy-8,8,14-trimethyl-7,9,15-trioxatricyclo[15.4.0.06,10]henicosa-1(17),2,11,18,20-pentaen-16-one is COc1cc2c(c(OC)c1)C(=O)O[C@H](C)C/C=C/[C@H]1OC(C)(C)O[C@H]1CC/C=C\2.
What is the InChIKey of (2Z,6S,10R,11E,14R)-18,20-dimethoxy-8,8,14-trimethyl-7,9,15-trioxatricyclo[15.4.0.06,10]henicosa-1(17),2,11,18,20-pentaen-16-one?
The InChIKey is QTDJFPOVMYKEBR-ATJMQWOFSA-N. The full InChI is InChI=1S/C23H30O6/c1-15-9-8-12-19-18(28-23(2,3)29-19)11-7-6-10-16-13-17(25-4)14-20(26-5)21(16)22(24)27-15/h6,8,10,12-15,18-19H,7,9,11H2,1-5H3/b10-6-,12-8+/t15-,18+,19-/m1/s1.
What are the key properties of (2Z,6S,10R,11E,14R)-18,20-dimethoxy-8,8,14-trimethyl-7,9,15-trioxatricyclo[15.4.0.06,10]henicosa-1(17),2,11,18,20-pentaen-16-one?
(2Z,6S,10R,11E,14R)-18,20-dimethoxy-8,8,14-trimethyl-7,9,15-trioxatricyclo[15.4.0.06,10]henicosa-1(17),2,11,18,20-pentaen-16-one has a molecular weight of 402.49 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6S,10R,11E,14R)-18,20-dimethoxy-8,8,14-trimethyl-7,9,15-trioxatricyclo[15.4.0.06,10]henicosa-1(17),2,11,18,20-pentaen-16-one is sourced from PubChem (CID 11003944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).