(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

C26H18O10 — CID 156583170

IUPAC(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
SMILESCc1cc(O)c2c3c1C1=C(C(=O)C3(O)COC2=O)C23COC(=O)c4c(O)cc(C)c(c42)C(=O)[C@H]1[C@H]3O
InChIInChI=1S/C26H18O10/c1-7-3-10(28)14-18-11(7)15-16-20(29)12-8(2)4-9(27)13-17(12)25(21(16)30,5-35-23(13)32)19(15)22(31)26(18,34)6-36-24(14)33/h3-4,16,21,27-28,30,34H,5-6H2,1-2H3/t16-,21+,25?,26?/m0/s1
InChIKeySCVGKUUIKGANLF-UXYXKIOTSA-N
MW490.42 g/mol
LogP0.70
Rot. Bonds

About (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

(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 (PubChem CID 156583170) has the molecular formula C26H18O10 and a molecular weight of 490.42 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID156583170
Molecular FormulaC26H18O10
Molecular Weight490.42 g/mol
Exact Mass490.09
IUPAC Name(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
SMILESCc1cc(O)c2c3c1C1=C(C(=O)C3(O)COC2=O)C23COC(=O)c4c(O)cc(C)c(c42)C(=O)[C@H]1[C@H]3O
InChIInChI=1S/C26H18O10/c1-7-3-10(28)14-18-11(7)15-16-20(29)12-8(2)4-9(27)13-17(12)25(21(16)30,5-35-23(13)32)19(15)22(31)26(18,34)6-36-24(14)33/h3-4,16,21,27-28,30,34H,5-6H2,1-2H3/t16-,21+,25?,26?/m0/s1
InChIKeySCVGKUUIKGANLF-UXYXKIOTSA-N
XLogP0.70
TPSA167.66 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.42
LogP ≤ 50.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze (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 with MolForge

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Related Compounds

(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
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
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
[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
(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
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
7,9,10a-trihydroxy-3-methyl-1H-benzo[g]isochromen-10-one
CID 163070367
(4S)-4-(2,4-dichloro-6-hydroxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171188572
8-hydroxy-4,7,7-trimethyl-6,8-dihydro-3H-cyclopenta[g][2]benzofuran-1-one
CID 76524610
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
(4R)-4-(5-chloro-2-hydroxy-3-methylphenyl)-5,5-dimethyl-1,3-oxazinan-2-one
CID 171187385

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1cc(O)c2c3c1C1=C(C(=O)C3(O)COC2=O)C23COC(=O)c4c(O)cc(C)c(c42)C(=O)[C@H]1[C@H]3O.
What is the InChIKey of (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?
The InChIKey is SCVGKUUIKGANLF-UXYXKIOTSA-N. The full InChI is InChI=1S/C26H18O10/c1-7-3-10(28)14-18-11(7)15-16-20(29)12-8(2)4-9(27)13-17(12)25(21(16)30,5-35-23(13)32)19(15)22(31)26(18,34)6-36-24(14)33/h3-4,16,21,27-28,30,34H,5-6H2,1-2H3/t16-,21+,25?,26?/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 490.42 g/mol, XLogP of 0.70, 0 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 156583170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).