7,19,24-trihydroxy-11,17-dimethyl-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-2(13),4,7,10,12(26),16(25),17,19-octaene-3,9,15,21-tetrone

C26H16O9 — CID 162901323

IUPAC7,19,24-trihydroxy-11,17-dimethyl-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-2(13),4,7,10,12(26),16(25),17,19-octaene-3,9,15,21-tetrone
SMILESCc1cc(O)c2c3c1C(=O)C1c4c(c(=O)c5coc(O)c6c(=O)cc(C)c4c56)C3(COC2=O)C1O
InChIInChI=1S/C26H16O9/c1-7-3-10(27)15-14-9(5-34-24(15)32)21(29)20-17(12(7)14)18-22(30)13-8(2)4-11(28)16-19(13)26(20,23(18)31)6-35-25(16)33/h3-5,18,23,28,31-32H,6H2,1-2H3
InChIKeyCEWYDOBLVVQYDB-UHFFFAOYSA-N
MW472.41 g/mol
LogP1.88
Rot. Bonds

About 7,19,24-trihydroxy-11,17-dimethyl-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-2(13),4,7,10,12(26),16(25),17,19-octaene-3,9,15,21-tetrone

7,19,24-trihydroxy-11,17-dimethyl-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-2(13),4,7,10,12(26),16(25),17,19-octaene-3,9,15,21-tetrone (PubChem CID 162901323) has the molecular formula C26H16O9 and a molecular weight of 472.41 g/mol. Its IUPAC name is 7,19,24-trihydroxy-11,17-dimethyl-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-2(13),4,7,10,12(26),16(25),17,19-octaene-3,9,15,21-tetrone.

Molecular Properties

Compound Name7,19,24-trihydroxy-11,17-dimethyl-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-2(13),4,7,10,12(26),16(25),17,19-octaene-3,9,15,21-tetrone
PubChem CID162901323
Molecular FormulaC26H16O9
Molecular Weight472.41 g/mol
Exact Mass472.08
IUPAC Name7,19,24-trihydroxy-11,17-dimethyl-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-2(13),4,7,10,12(26),16(25),17,19-octaene-3,9,15,21-tetrone
SMILESCc1cc(O)c2c3c1C(=O)C1c4c(c(=O)c5coc(O)c6c(=O)cc(C)c4c56)C3(COC2=O)C1O
InChIInChI=1S/C26H16O9/c1-7-3-10(27)15-14-9(5-34-24(15)32)21(29)20-17(12(7)14)18-22(30)13-8(2)4-11(28)16-19(13)26(20,23(18)31)6-35-25(16)33/h3-5,18,23,28,31-32H,6H2,1-2H3
InChIKeyCEWYDOBLVVQYDB-UHFFFAOYSA-N
XLogP1.88
TPSA151.34 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.41
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 7,19,24-trihydroxy-11,17-dimethyl-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-2(13),4,7,10,12(26),16(25),17,19-octaene-3,9,15,21-tetrone with MolForge

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Related Compounds

[7,19-dihydroxy-6-(2-hydroxyethyl)-11,17-dimethyl-3,9,15,21-tetraoxo-22-oxa-6-azaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-2(13),4,7,10,12(26),16(25),17,19-octaen-24-yl] acetate
CID 139587409
3,9,19,24-tetrahydroxy-5-methoxy-17-methyl-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-2(13),3,8,10,12(26),16(25),17,19-octaene-7,15,21-trione
CID 163175220
(3,7,17-trihydroxy-9,15-dimethyl-13,19-dioxo-20-oxahexacyclo[10.9.1.11,14.02,11.05,10.018,23]tricosa-2,4,6,8,10,14(23),15,17-octaen-22-yl) acetate
CID 163149065
(14R,24R)-4,9,19,24-tetrahydroxy-11,17-dimethyl-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-2(13),8,10,12(26),16(25),17,19-heptaene-3,7,15,21-tetrone
CID 156583170
(4,9,19-trihydroxy-11,17-dimethyl-3,7,15,21-tetraoxo-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-2(13),8,10,12(26),16(25),17,19-heptaen-24-yl) acetate
CID 163064262
bis([(1S,2S,13R,14R,24R)-9,19-dihydroxy-13-methoxy-11,17-dimethyl-3,7,15,21-tetraoxo-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-4,8,10,12(26),16(25),17,19-heptaen-24-yl] acetate);ethyl acetate
CID 139054195
(1S,2R,13R,14R,24S)-24-acetyl-10,19-dihydroxy-13-methoxy-11,17-dimethyl-22-oxa-6-azaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-4,8,10,12(26),16(25),17,19-heptaene-3,7,15,21-tetrone
CID 132526638
methyl (2S)-6,10,12-trihydroxy-8-methyl-4-oxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-2-carboxylate
CID 156581331
7-hydroxy-8-methoxy-3,5-dimethyl-3,4-dihydroisochromen-1-one
CID 163116437
7-hydroxy-4-methyl-3H-2-benzofuran-1-one
CID 71384796
5,8,14,20,23,28-hexahydroxy-6,21-dimethyloctacyclo[14.11.1.02,11.02,15.04,9.013,17.017,26.019,24]octacosa-4,6,8,19,21,23-hexaene-3,10,12,18,25,27-hexone
CID 57068871
(4aR,9aR)-5,8-dihydroxy-2,3-dimethyl-1,4,4a,9a-tetrahydroanthracene-9,10-dione
CID 98525501

Frequently Asked Questions

What is the IUPAC name of 7,19,24-trihydroxy-11,17-dimethyl-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-2(13),4,7,10,12(26),16(25),17,19-octaene-3,9,15,21-tetrone?
The IUPAC name of 7,19,24-trihydroxy-11,17-dimethyl-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-2(13),4,7,10,12(26),16(25),17,19-octaene-3,9,15,21-tetrone (CID 162901323) is 7,19,24-trihydroxy-11,17-dimethyl-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-2(13),4,7,10,12(26),16(25),17,19-octaene-3,9,15,21-tetrone.
What is the SMILES notation for 7,19,24-trihydroxy-11,17-dimethyl-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-2(13),4,7,10,12(26),16(25),17,19-octaene-3,9,15,21-tetrone?
The canonical SMILES for 7,19,24-trihydroxy-11,17-dimethyl-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-2(13),4,7,10,12(26),16(25),17,19-octaene-3,9,15,21-tetrone is Cc1cc(O)c2c3c1C(=O)C1c4c(c(=O)c5coc(O)c6c(=O)cc(C)c4c56)C3(COC2=O)C1O.
What is the InChIKey of 7,19,24-trihydroxy-11,17-dimethyl-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-2(13),4,7,10,12(26),16(25),17,19-octaene-3,9,15,21-tetrone?
The InChIKey is CEWYDOBLVVQYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16O9/c1-7-3-10(27)15-14-9(5-34-24(15)32)21(29)20-17(12(7)14)18-22(30)13-8(2)4-11(28)16-19(13)26(20,23(18)31)6-35-25(16)33/h3-5,18,23,28,31-32H,6H2,1-2H3.
What are the key properties of 7,19,24-trihydroxy-11,17-dimethyl-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-2(13),4,7,10,12(26),16(25),17,19-octaene-3,9,15,21-tetrone?
7,19,24-trihydroxy-11,17-dimethyl-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-2(13),4,7,10,12(26),16(25),17,19-octaene-3,9,15,21-tetrone has a molecular weight of 472.41 g/mol, XLogP of 1.88, 0 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7,19,24-trihydroxy-11,17-dimethyl-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-2(13),4,7,10,12(26),16(25),17,19-octaene-3,9,15,21-tetrone is sourced from PubChem (CID 162901323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).