(10R)-3,4,5,14,15,16-hexamethoxy-10-methyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-9-one

C23H28O7 — CID 102106602

IUPAC(10R)-3,4,5,14,15,16-hexamethoxy-10-methyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-9-one
SMILESCOc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)C[C@@H](C)C(=O)C2
InChIInChI=1S/C23H28O7/c1-12-8-13-10-16(25-2)20(27-4)22(29-6)18(13)19-14(9-15(12)24)11-17(26-3)21(28-5)23(19)30-7/h10-12H,8-9H2,1-7H3/t12-/m1/s1
InChIKeyHHWUEVZSWQLZKF-GFCCVEGCSA-N
MW416.47 g/mol
LogP3.71
Rot. Bonds6

About (10R)-3,4,5,14,15,16-hexamethoxy-10-methyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-9-one

(10R)-3,4,5,14,15,16-hexamethoxy-10-methyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-9-one (PubChem CID 102106602) has the molecular formula C23H28O7 and a molecular weight of 416.47 g/mol. Its IUPAC name is (10R)-3,4,5,14,15,16-hexamethoxy-10-methyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-9-one.

Molecular Properties

Compound Name(10R)-3,4,5,14,15,16-hexamethoxy-10-methyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-9-one
PubChem CID102106602
Molecular FormulaC23H28O7
Molecular Weight416.47 g/mol
Exact Mass416.18
IUPAC Name(10R)-3,4,5,14,15,16-hexamethoxy-10-methyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-9-one
SMILESCOc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)C[C@@H](C)C(=O)C2
InChIInChI=1S/C23H28O7/c1-12-8-13-10-16(25-2)20(27-4)22(29-6)18(13)19-14(9-15(12)24)11-17(26-3)21(28-5)23(19)30-7/h10-12H,8-9H2,1-7H3/t12-/m1/s1
InChIKeyHHWUEVZSWQLZKF-GFCCVEGCSA-N
XLogP3.71
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (10R)-3,4,5,14,15,16-hexamethoxy-10-methyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-9-one with MolForge

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Related Compounds

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(9R,10R)-3,4,5,14,15,16-hexamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-9-ol
CID 10455507
(9S,10R)-3,4,5,14,15,16-hexamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-9-ol
CID 38988908
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(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
[(9R,10R)-3,4,5,14,15,16-hexamethoxy-9,10-dimethyl-9-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] butanoate
CID 46856029
(9S,10S)-4,5,15,16-tetramethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-3,14-diol
CID 163059787
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CID 14214005
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CID 90671321
(9S,10S)-3,4,14,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-5,10-diol
CID 5317812
(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

Frequently Asked Questions

What is the IUPAC name of (10R)-3,4,5,14,15,16-hexamethoxy-10-methyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-9-one?
The IUPAC name of (10R)-3,4,5,14,15,16-hexamethoxy-10-methyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-9-one (CID 102106602) is (10R)-3,4,5,14,15,16-hexamethoxy-10-methyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-9-one.
What is the SMILES notation for (10R)-3,4,5,14,15,16-hexamethoxy-10-methyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-9-one?
The canonical SMILES for (10R)-3,4,5,14,15,16-hexamethoxy-10-methyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-9-one is COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)C[C@@H](C)C(=O)C2.
What is the InChIKey of (10R)-3,4,5,14,15,16-hexamethoxy-10-methyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-9-one?
The InChIKey is HHWUEVZSWQLZKF-GFCCVEGCSA-N. The full InChI is InChI=1S/C23H28O7/c1-12-8-13-10-16(25-2)20(27-4)22(29-6)18(13)19-14(9-15(12)24)11-17(26-3)21(28-5)23(19)30-7/h10-12H,8-9H2,1-7H3/t12-/m1/s1.
What are the key properties of (10R)-3,4,5,14,15,16-hexamethoxy-10-methyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-9-one?
(10R)-3,4,5,14,15,16-hexamethoxy-10-methyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-9-one has a molecular weight of 416.47 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-3,4,5,14,15,16-hexamethoxy-10-methyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-9-one is sourced from PubChem (CID 102106602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).