6,15,23,32-tetramethoxy-9,12,26,29-tetraoxapentacyclo[29.3.1.13,7.114,18.120,24]octatriaconta-1(35),3(38),4,6,14,16,18(37),20(36),21,23,31,33-dodecaene-2,19-dione

C38H40O10 — CID 10628101

IUPAC6,15,23,32-tetramethoxy-9,12,26,29-tetraoxapentacyclo[29.3.1.13,7.114,18.120,24]octatriaconta-1(35),3(38),4,6,14,16,18(37),20(36),21,23,31,33-dodecaene-2,19-dione
SMILESCOc1ccc2cc1COCCOCc1cc(ccc1OC)C(=O)c1ccc(OC)c(c1)COCCOCc1cc(ccc1OC)C2=O
InChIInChI=1S/C38H40O10/c1-41-33-9-5-25-17-29(33)21-45-13-14-46-22-31-19-27(7-11-35(31)43-3)38(40)28-8-12-36(44-4)32(20-28)24-48-16-15-47-23-30-18-26(37(25)39)6-10-34(30)42-2/h5-12,17-20H,13-16,21-24H2,1-4H3
InChIKeyGKVFZHQNXHVPQC-UHFFFAOYSA-N
MW656.73 g/mol
LogP5.96
Rot. Bonds4

About 6,15,23,32-tetramethoxy-9,12,26,29-tetraoxapentacyclo[29.3.1.13,7.114,18.120,24]octatriaconta-1(35),3(38),4,6,14,16,18(37),20(36),21,23,31,33-dodecaene-2,19-dione

6,15,23,32-tetramethoxy-9,12,26,29-tetraoxapentacyclo[29.3.1.13,7.114,18.120,24]octatriaconta-1(35),3(38),4,6,14,16,18(37),20(36),21,23,31,33-dodecaene-2,19-dione (PubChem CID 10628101) has the molecular formula C38H40O10 and a molecular weight of 656.73 g/mol. Its IUPAC name is 6,15,23,32-tetramethoxy-9,12,26,29-tetraoxapentacyclo[29.3.1.13,7.114,18.120,24]octatriaconta-1(35),3(38),4,6,14,16,18(37),20(36),21,23,31,33-dodecaene-2,19-dione.

Molecular Properties

Compound Name6,15,23,32-tetramethoxy-9,12,26,29-tetraoxapentacyclo[29.3.1.13,7.114,18.120,24]octatriaconta-1(35),3(38),4,6,14,16,18(37),20(36),21,23,31,33-dodecaene-2,19-dione
PubChem CID10628101
Molecular FormulaC38H40O10
Molecular Weight656.73 g/mol
Exact Mass656.26
IUPAC Name6,15,23,32-tetramethoxy-9,12,26,29-tetraoxapentacyclo[29.3.1.13,7.114,18.120,24]octatriaconta-1(35),3(38),4,6,14,16,18(37),20(36),21,23,31,33-dodecaene-2,19-dione
SMILESCOc1ccc2cc1COCCOCc1cc(ccc1OC)C(=O)c1ccc(OC)c(c1)COCCOCc1cc(ccc1OC)C2=O
InChIInChI=1S/C38H40O10/c1-41-33-9-5-25-17-29(33)21-45-13-14-46-22-31-19-27(7-11-35(31)43-3)38(40)28-8-12-36(44-4)32(20-28)24-48-16-15-47-23-30-18-26(37(25)39)6-10-34(30)42-2/h5-12,17-20H,13-16,21-24H2,1-4H3
InChIKeyGKVFZHQNXHVPQC-UHFFFAOYSA-N
XLogP5.96
TPSA107.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.73
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 6,15,23,32-tetramethoxy-9,12,26,29-tetraoxapentacyclo[29.3.1.13,7.114,18.120,24]octatriaconta-1(35),3(38),4,6,14,16,18(37),20(36),21,23,31,33-dodecaene-2,19-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,15,23,32-tetramethoxy-9,12,26,29-tetraoxapentacyclo[29.3.1.13,7.114,18.120,24]octatriaconta-1(35),3(38),4,6,14,16,18(37),20(36),21,23,31,33-dodecaene-2,19-dione?
The IUPAC name of 6,15,23,32-tetramethoxy-9,12,26,29-tetraoxapentacyclo[29.3.1.13,7.114,18.120,24]octatriaconta-1(35),3(38),4,6,14,16,18(37),20(36),21,23,31,33-dodecaene-2,19-dione (CID 10628101) is 6,15,23,32-tetramethoxy-9,12,26,29-tetraoxapentacyclo[29.3.1.13,7.114,18.120,24]octatriaconta-1(35),3(38),4,6,14,16,18(37),20(36),21,23,31,33-dodecaene-2,19-dione.
What is the SMILES notation for 6,15,23,32-tetramethoxy-9,12,26,29-tetraoxapentacyclo[29.3.1.13,7.114,18.120,24]octatriaconta-1(35),3(38),4,6,14,16,18(37),20(36),21,23,31,33-dodecaene-2,19-dione?
The canonical SMILES for 6,15,23,32-tetramethoxy-9,12,26,29-tetraoxapentacyclo[29.3.1.13,7.114,18.120,24]octatriaconta-1(35),3(38),4,6,14,16,18(37),20(36),21,23,31,33-dodecaene-2,19-dione is COc1ccc2cc1COCCOCc1cc(ccc1OC)C(=O)c1ccc(OC)c(c1)COCCOCc1cc(ccc1OC)C2=O.
What is the InChIKey of 6,15,23,32-tetramethoxy-9,12,26,29-tetraoxapentacyclo[29.3.1.13,7.114,18.120,24]octatriaconta-1(35),3(38),4,6,14,16,18(37),20(36),21,23,31,33-dodecaene-2,19-dione?
The InChIKey is GKVFZHQNXHVPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H40O10/c1-41-33-9-5-25-17-29(33)21-45-13-14-46-22-31-19-27(7-11-35(31)43-3)38(40)28-8-12-36(44-4)32(20-28)24-48-16-15-47-23-30-18-26(37(25)39)6-10-34(30)42-2/h5-12,17-20H,13-16,21-24H2,1-4H3.
What are the key properties of 6,15,23,32-tetramethoxy-9,12,26,29-tetraoxapentacyclo[29.3.1.13,7.114,18.120,24]octatriaconta-1(35),3(38),4,6,14,16,18(37),20(36),21,23,31,33-dodecaene-2,19-dione?
6,15,23,32-tetramethoxy-9,12,26,29-tetraoxapentacyclo[29.3.1.13,7.114,18.120,24]octatriaconta-1(35),3(38),4,6,14,16,18(37),20(36),21,23,31,33-dodecaene-2,19-dione has a molecular weight of 656.73 g/mol, XLogP of 5.96, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6,15,23,32-tetramethoxy-9,12,26,29-tetraoxapentacyclo[29.3.1.13,7.114,18.120,24]octatriaconta-1(35),3(38),4,6,14,16,18(37),20(36),21,23,31,33-dodecaene-2,19-dione is sourced from PubChem (CID 10628101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).