(E)-9-[(E)-1-carboxy-11-(2,5-dioxooxolan-3-yl)heptadec-12-en-8-yl]peroxy-12-(2,5-dioxooxolan-3-yl)octadec-13-enoic acid;18-[(E)-19-carboxy-7-(2,5-dioxooxolan-3-yl)nonadec-5-en-10-yl]-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;18-[(E)-19-carboxy-7-(2,5-dioxooxolan-3-yl)nonadec-5-en-10-yl]oxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid

C140H214O33 — CID 158422565

IUPAC(E)-9-[(E)-1-carboxy-11-(2,5-dioxooxolan-3-yl)heptadec-12-en-8-yl]peroxy-12-(2,5-dioxooxolan-3-yl)octadec-13-enoic acid;18-[(E)-19-carboxy-7-(2,5-dioxooxolan-3-yl)nonadec-5-en-10-yl]-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;18-[(E)-19-carboxy-7-(2,5-dioxooxolan-3-yl)nonadec-5-en-10-yl]oxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid
SMILESCCCC/C=C/C(CCC(CCCCCCCC(=O)O)OOC(CCCCCCCC(=O)O)CCC(/C=C/CCCC)C1CC(=O)OC1=O)C1CC(=O)OC1=O.CCCC/C=C/C(CCC(CCCCCCCCCC(=O)O)C1C(C(C)C)C2CC3C4(C)CCCC(C)(C(=O)O)C4CCC13C1C(=O)OC(=O)C21)C1CC(=O)OC1=O.CCCC/C=C/C(CCC(CCCCCCCCCC(=O)O)OC1C(C(C)C)C2CC3C4(C)CCCC(C)(C(=O)O)C4CCC13C1C(=O)OC(=O)C21)C1CC(=O)OC1=O
InChIInChI=1S/C48H72O11.C48H72O10.C44H70O12/c1-6-7-8-14-18-30(32-28-37(51)58-42(32)52)21-22-31(19-15-12-10-9-11-13-16-20-36(49)50)57-41-38(29(2)3)33-27-35-46(4)24-17-25-47(5,45(55)56)34(46)23-26-48(35,41)40-39(33)43(53)59-44(40)54;1-6-7-8-14-18-30(32-28-37(51)57-42(32)52)21-22-31(19-15-12-10-9-11-13-16-20-36(49)50)40-38(29(2)3)33-27-35-46(4)24-17-25-47(5,45(55)56)34(46)23-26-48(35,40)41-39(33)43(53)58-44(41)54;1-3-5-7-15-21-33(37-31-41(49)53-43(37)51)27-29-35(23-17-11-9-13-19-25-39(45)46)55-56-36(24-18-12-10-14-20-26-40(47)48)30-28-34(22-16-8-6-4-2)38-32-42(50)54-44(38)52/h14,18,29-35,38-41H,6-13,15-17,19-28H2,1-5H3,(H,49,50)(H,55,56);14,18,29-35,38-41H,6-13,15-17,19-28H2,1-5H3,(H,49,50)(H,55,56);15-16,21-22,33-38H,3-14,17-20,23-32H2,1-2H3,(H,45,46)(H,47,48)/b2*18-14+;21-15+,22-16+
InChIKeyHAQWFZSJLABSIY-KPVSLRMCSA-N
MW2425.22 g/mol
LogP29.21
Rot. Bonds78

About (E)-9-[(E)-1-carboxy-11-(2,5-dioxooxolan-3-yl)heptadec-12-en-8-yl]peroxy-12-(2,5-dioxooxolan-3-yl)octadec-13-enoic acid;18-[(E)-19-carboxy-7-(2,5-dioxooxolan-3-yl)nonadec-5-en-10-yl]-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;18-[(E)-19-carboxy-7-(2,5-dioxooxolan-3-yl)nonadec-5-en-10-yl]oxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid

(E)-9-[(E)-1-carboxy-11-(2,5-dioxooxolan-3-yl)heptadec-12-en-8-yl]peroxy-12-(2,5-dioxooxolan-3-yl)octadec-13-enoic acid;18-[(E)-19-carboxy-7-(2,5-dioxooxolan-3-yl)nonadec-5-en-10-yl]-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;18-[(E)-19-carboxy-7-(2,5-dioxooxolan-3-yl)nonadec-5-en-10-yl]oxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid (PubChem CID 158422565) has the molecular formula C140H214O33 and a molecular weight of 2425.22 g/mol. Its IUPAC name is (E)-9-[(E)-1-carboxy-11-(2,5-dioxooxolan-3-yl)heptadec-12-en-8-yl]peroxy-12-(2,5-dioxooxolan-3-yl)octadec-13-enoic acid;18-[(E)-19-carboxy-7-(2,5-dioxooxolan-3-yl)nonadec-5-en-10-yl]-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;18-[(E)-19-carboxy-7-(2,5-dioxooxolan-3-yl)nonadec-5-en-10-yl]oxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid.

Molecular Properties

Compound Name(E)-9-[(E)-1-carboxy-11-(2,5-dioxooxolan-3-yl)heptadec-12-en-8-yl]peroxy-12-(2,5-dioxooxolan-3-yl)octadec-13-enoic acid;18-[(E)-19-carboxy-7-(2,5-dioxooxolan-3-yl)nonadec-5-en-10-yl]-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;18-[(E)-19-carboxy-7-(2,5-dioxooxolan-3-yl)nonadec-5-en-10-yl]oxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid
PubChem CID158422565
Molecular FormulaC140H214O33
Molecular Weight2425.22 g/mol
Exact Mass2423.51
IUPAC Name(E)-9-[(E)-1-carboxy-11-(2,5-dioxooxolan-3-yl)heptadec-12-en-8-yl]peroxy-12-(2,5-dioxooxolan-3-yl)octadec-13-enoic acid;18-[(E)-19-carboxy-7-(2,5-dioxooxolan-3-yl)nonadec-5-en-10-yl]-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;18-[(E)-19-carboxy-7-(2,5-dioxooxolan-3-yl)nonadec-5-en-10-yl]oxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid
SMILESCCCC/C=C/C(CCC(CCCCCCCC(=O)O)OOC(CCCCCCCC(=O)O)CCC(/C=C/CCCC)C1CC(=O)OC1=O)C1CC(=O)OC1=O.CCCC/C=C/C(CCC(CCCCCCCCCC(=O)O)C1C(C(C)C)C2CC3C4(C)CCCC(C)(C(=O)O)C4CCC13C1C(=O)OC(=O)C21)C1CC(=O)OC1=O.CCCC/C=C/C(CCC(CCCCCCCCCC(=O)O)OC1C(C(C)C)C2CC3C4(C)CCCC(C)(C(=O)O)C4CCC13C1C(=O)OC(=O)C21)C1CC(=O)OC1=O
InChIInChI=1S/C48H72O11.C48H72O10.C44H70O12/c1-6-7-8-14-18-30(32-28-37(51)58-42(32)52)21-22-31(19-15-12-10-9-11-13-16-20-36(49)50)57-41-38(29(2)3)33-27-35-46(4)24-17-25-47(5,45(55)56)34(46)23-26-48(35,41)40-39(33)43(53)59-44(40)54;1-6-7-8-14-18-30(32-28-37(51)57-42(32)52)21-22-31(19-15-12-10-9-11-13-16-20-36(49)50)40-38(29(2)3)33-27-35-46(4)24-17-25-47(5,45(55)56)34(46)23-26-48(35,40)41-39(33)43(53)58-44(41)54;1-3-5-7-15-21-33(37-31-41(49)53-43(37)51)27-29-35(23-17-11-9-13-19-25-39(45)46)55-56-36(24-18-12-10-14-20-26-40(47)48)30-28-34(22-16-8-6-4-2)38-32-42(50)54-44(38)52/h14,18,29-35,38-41H,6-13,15-17,19-28H2,1-5H3,(H,49,50)(H,55,56);14,18,29-35,38-41H,6-13,15-17,19-28H2,1-5H3,(H,49,50)(H,55,56);15-16,21-22,33-38H,3-14,17-20,23-32H2,1-2H3,(H,45,46)(H,47,48)/b2*18-14+;21-15+,22-16+
InChIKeyHAQWFZSJLABSIY-KPVSLRMCSA-N
XLogP29.21
TPSA511.71 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds78
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002425.22
LogP ≤ 529.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-9-[(E)-1-carboxy-11-(2,5-dioxooxolan-3-yl)heptadec-12-en-8-yl]peroxy-12-(2,5-dioxooxolan-3-yl)octadec-13-enoic acid;18-[(E)-19-carboxy-7-(2,5-dioxooxolan-3-yl)nonadec-5-en-10-yl]-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;18-[(E)-19-carboxy-7-(2,5-dioxooxolan-3-yl)nonadec-5-en-10-yl]oxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid with MolForge

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Related Compounds

18-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;18-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]oxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;18-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]peroxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid
CID 159265511
10,11-bis[(E)-3-(2,5-dioxooxolan-3-yl)oct-4-enyl]icosanedioic acid;18-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;18-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]oxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;(E)-10-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]oxy-13-(2,5-dioxooxolan-3-yl)octadec-14-enoic acid;18-[(E)-1-carboxy-11-(2,5-dioxooxolan-3-yl)heptadec-12-en-8-yl]peroxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;(E)-10-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]peroxy-13-(2,5-dioxooxolan-3-yl)octadec-14-enoic acid
CID 160515179
18-[[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]peroxymethyl]-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid
CID 87092150
18-[17-carboxy-10-(2,5-dioxooxolan-3-yl)heptadec-6-en-8-yl]peroxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid
CID 72559724
18-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]-5,9-dimethyl-14,16-dioxo-20-propan-2-yl-15-oxapentacyclo[10.5.3.01,10.04,9.013,17]icosane-5-carboxylic acid
CID 138642643
9-(2,5-dioxooxolan-3-yl)octadec-10-enoic acid
CID 72559719
9-(2,5-dioxooxolan-3-yl)-11-octadec-12-en-9-ylperoxyoctadec-12-enoic acid
CID 91219426
11-(1-carboxyheptadec-11-en-8-ylperoxy)-9-(2,5-dioxooxolan-3-yl)octadec-12-enoic acid
CID 72526188
(E)-11-[(E)-10-(2,5-dioxooxolan-3-yl)octadec-6-en-8-yl]peroxyoctadec-12-enoic acid
CID 59779248
bis(2-aminoethyl hydrogen sulfate);(Z)-5-(2,5-dioxooxolan-3-yl)undec-6-enoic acid;4-(1,3-dioxo-7-propyl-3a,4,7,7a-tetrahydro-2-benzofuran-4-yl)butanoic acid;4-[1,3-dioxo-7-propyl-2-(2-sulfooxyethyl)-3a,4,7,7a-tetrahydroisoindol-4-yl]butanoic acid;(Z)-5-[2,5-dioxo-1-(2-sulfooxyethyl)pyrrolidin-3-yl]undec-6-enoic acid
CID 159817096
3-[(7E,9Z)-18-cyclopropyl-18-oxooctadeca-7,9-dien-6-yl]oxolane-2,5-dione
CID 176945760
(1S,4S,5R,9R,10S,12S,13R,17R)-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadec-18-ene-5-carboxylic acid
CID 98657299

Frequently Asked Questions

What is the IUPAC name of (E)-9-[(E)-1-carboxy-11-(2,5-dioxooxolan-3-yl)heptadec-12-en-8-yl]peroxy-12-(2,5-dioxooxolan-3-yl)octadec-13-enoic acid;18-[(E)-19-carboxy-7-(2,5-dioxooxolan-3-yl)nonadec-5-en-10-yl]-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;18-[(E)-19-carboxy-7-(2,5-dioxooxolan-3-yl)nonadec-5-en-10-yl]oxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid?
The IUPAC name of (E)-9-[(E)-1-carboxy-11-(2,5-dioxooxolan-3-yl)heptadec-12-en-8-yl]peroxy-12-(2,5-dioxooxolan-3-yl)octadec-13-enoic acid;18-[(E)-19-carboxy-7-(2,5-dioxooxolan-3-yl)nonadec-5-en-10-yl]-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;18-[(E)-19-carboxy-7-(2,5-dioxooxolan-3-yl)nonadec-5-en-10-yl]oxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid (CID 158422565) is (E)-9-[(E)-1-carboxy-11-(2,5-dioxooxolan-3-yl)heptadec-12-en-8-yl]peroxy-12-(2,5-dioxooxolan-3-yl)octadec-13-enoic acid;18-[(E)-19-carboxy-7-(2,5-dioxooxolan-3-yl)nonadec-5-en-10-yl]-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;18-[(E)-19-carboxy-7-(2,5-dioxooxolan-3-yl)nonadec-5-en-10-yl]oxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid.
What is the SMILES notation for (E)-9-[(E)-1-carboxy-11-(2,5-dioxooxolan-3-yl)heptadec-12-en-8-yl]peroxy-12-(2,5-dioxooxolan-3-yl)octadec-13-enoic acid;18-[(E)-19-carboxy-7-(2,5-dioxooxolan-3-yl)nonadec-5-en-10-yl]-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;18-[(E)-19-carboxy-7-(2,5-dioxooxolan-3-yl)nonadec-5-en-10-yl]oxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid?
The canonical SMILES for (E)-9-[(E)-1-carboxy-11-(2,5-dioxooxolan-3-yl)heptadec-12-en-8-yl]peroxy-12-(2,5-dioxooxolan-3-yl)octadec-13-enoic acid;18-[(E)-19-carboxy-7-(2,5-dioxooxolan-3-yl)nonadec-5-en-10-yl]-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;18-[(E)-19-carboxy-7-(2,5-dioxooxolan-3-yl)nonadec-5-en-10-yl]oxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid is CCCC/C=C/C(CCC(CCCCCCCC(=O)O)OOC(CCCCCCCC(=O)O)CCC(/C=C/CCCC)C1CC(=O)OC1=O)C1CC(=O)OC1=O.CCCC/C=C/C(CCC(CCCCCCCCCC(=O)O)C1C(C(C)C)C2CC3C4(C)CCCC(C)(C(=O)O)C4CCC13C1C(=O)OC(=O)C21)C1CC(=O)OC1=O.CCCC/C=C/C(CCC(CCCCCCCCCC(=O)O)OC1C(C(C)C)C2CC3C4(C)CCCC(C)(C(=O)O)C4CCC13C1C(=O)OC(=O)C21)C1CC(=O)OC1=O.
What is the InChIKey of (E)-9-[(E)-1-carboxy-11-(2,5-dioxooxolan-3-yl)heptadec-12-en-8-yl]peroxy-12-(2,5-dioxooxolan-3-yl)octadec-13-enoic acid;18-[(E)-19-carboxy-7-(2,5-dioxooxolan-3-yl)nonadec-5-en-10-yl]-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;18-[(E)-19-carboxy-7-(2,5-dioxooxolan-3-yl)nonadec-5-en-10-yl]oxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid?
The InChIKey is HAQWFZSJLABSIY-KPVSLRMCSA-N. The full InChI is InChI=1S/C48H72O11.C48H72O10.C44H70O12/c1-6-7-8-14-18-30(32-28-37(51)58-42(32)52)21-22-31(19-15-12-10-9-11-13-16-20-36(49)50)57-41-38(29(2)3)33-27-35-46(4)24-17-25-47(5,45(55)56)34(46)23-26-48(35,41)40-39(33)43(53)59-44(40)54;1-6-7-8-14-18-30(32-28-37(51)57-42(32)52)21-22-31(19-15-12-10-9-11-13-16-20-36(49)50)40-38(29(2)3)33-27-35-46(4)24-17-25-47(5,45(55)56)34(46)23-26-48(35,40)41-39(33)43(53)58-44(41)54;1-3-5-7-15-21-33(37-31-41(49)53-43(37)51)27-29-35(23-17-11-9-13-19-25-39(45)46)55-56-36(24-18-12-10-14-20-26-40(47)48)30-28-34(22-16-8-6-4-2)38-32-42(50)54-44(38)52/h14,18,29-35,38-41H,6-13,15-17,19-28H2,1-5H3,(H,49,50)(H,55,56);14,18,29-35,38-41H,6-13,15-17,19-28H2,1-5H3,(H,49,50)(H,55,56);15-16,21-22,33-38H,3-14,17-20,23-32H2,1-2H3,(H,45,46)(H,47,48)/b2*18-14+;21-15+,22-16+.
What are the key properties of (E)-9-[(E)-1-carboxy-11-(2,5-dioxooxolan-3-yl)heptadec-12-en-8-yl]peroxy-12-(2,5-dioxooxolan-3-yl)octadec-13-enoic acid;18-[(E)-19-carboxy-7-(2,5-dioxooxolan-3-yl)nonadec-5-en-10-yl]-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;18-[(E)-19-carboxy-7-(2,5-dioxooxolan-3-yl)nonadec-5-en-10-yl]oxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid?
(E)-9-[(E)-1-carboxy-11-(2,5-dioxooxolan-3-yl)heptadec-12-en-8-yl]peroxy-12-(2,5-dioxooxolan-3-yl)octadec-13-enoic acid;18-[(E)-19-carboxy-7-(2,5-dioxooxolan-3-yl)nonadec-5-en-10-yl]-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;18-[(E)-19-carboxy-7-(2,5-dioxooxolan-3-yl)nonadec-5-en-10-yl]oxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid has a molecular weight of 2425.22 g/mol, XLogP of 29.21, 78 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-9-[(E)-1-carboxy-11-(2,5-dioxooxolan-3-yl)heptadec-12-en-8-yl]peroxy-12-(2,5-dioxooxolan-3-yl)octadec-13-enoic acid;18-[(E)-19-carboxy-7-(2,5-dioxooxolan-3-yl)nonadec-5-en-10-yl]-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid;18-[(E)-19-carboxy-7-(2,5-dioxooxolan-3-yl)nonadec-5-en-10-yl]oxy-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadecane-5-carboxylic acid is sourced from PubChem (CID 158422565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).