7,15,23-trimethoxytetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene-25,26,27-triol

C30H36O6 — CID 102526280

IUPAC7,15,23-trimethoxytetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene-25,26,27-triol
SMILESCOc1cc2c(O)c(c1)CCCc1cc(OC)cc(c1O)CCCc1cc(OC)cc(c1O)CCC2
InChIInChI=1S/C30H36O6/c1-34-25-13-19-7-4-9-21-15-26(35-2)17-23(29(21)32)11-6-12-24-18-27(36-3)16-22(30(24)33)10-5-8-20(14-25)28(19)31/h13-18,31-33H,4-12H2,1-3H3
InChIKeyMCZLFLSNAKPBBM-UHFFFAOYSA-N
MW492.61 g/mol
LogP5.67
Rot. Bonds3

About 7,15,23-trimethoxytetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene-25,26,27-triol

7,15,23-trimethoxytetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene-25,26,27-triol (PubChem CID 102526280) has the molecular formula C30H36O6 and a molecular weight of 492.61 g/mol. Its IUPAC name is 7,15,23-trimethoxytetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene-25,26,27-triol.

Molecular Properties

Compound Name7,15,23-trimethoxytetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene-25,26,27-triol
PubChem CID102526280
Molecular FormulaC30H36O6
Molecular Weight492.61 g/mol
Exact Mass492.25
IUPAC Name7,15,23-trimethoxytetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene-25,26,27-triol
SMILESCOc1cc2c(O)c(c1)CCCc1cc(OC)cc(c1O)CCCc1cc(OC)cc(c1O)CCC2
InChIInChI=1S/C30H36O6/c1-34-25-13-19-7-4-9-21-15-26(35-2)17-23(29(21)32)11-6-12-24-18-27(36-3)16-22(30(24)33)10-5-8-20(14-25)28(19)31/h13-18,31-33H,4-12H2,1-3H3
InChIKeyMCZLFLSNAKPBBM-UHFFFAOYSA-N
XLogP5.67
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.61
LogP ≤ 55.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 7,15,23-trimethoxytetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene-25,26,27-triol with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7,15,23-trimethoxytetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene-25,26,27-triol?
The IUPAC name of 7,15,23-trimethoxytetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene-25,26,27-triol (CID 102526280) is 7,15,23-trimethoxytetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene-25,26,27-triol.
What is the SMILES notation for 7,15,23-trimethoxytetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene-25,26,27-triol?
The canonical SMILES for 7,15,23-trimethoxytetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene-25,26,27-triol is COc1cc2c(O)c(c1)CCCc1cc(OC)cc(c1O)CCCc1cc(OC)cc(c1O)CCC2.
What is the InChIKey of 7,15,23-trimethoxytetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene-25,26,27-triol?
The InChIKey is MCZLFLSNAKPBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36O6/c1-34-25-13-19-7-4-9-21-15-26(35-2)17-23(29(21)32)11-6-12-24-18-27(36-3)16-22(30(24)33)10-5-8-20(14-25)28(19)31/h13-18,31-33H,4-12H2,1-3H3.
What are the key properties of 7,15,23-trimethoxytetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene-25,26,27-triol?
7,15,23-trimethoxytetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene-25,26,27-triol has a molecular weight of 492.61 g/mol, XLogP of 5.67, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,15,23-trimethoxytetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene-25,26,27-triol is sourced from PubChem (CID 102526280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).