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

C138H204O33 — CID 159265511

IUPAC18-[(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
SMILESCCC/C=C/C(CCC(CCCCCCCCC(=O)O)C1C(C(C)C)C2CC3C4(C)CCCC(C)(C(=O)O)C4CCC13C1C(=O)OC(=O)C21)C1CC(=O)OC1=O.CCC/C=C/C(CCC(CCCCCCCCC(=O)O)OC1C(C(C)C)C2CC3C4(C)CCCC(C)(C(=O)O)C4CCC13C1C(=O)OC(=O)C21)C1CC(=O)OC1=O.CCC/C=C/C(CCC(CCCCCCCCC(=O)O)OOC1C(C(C)C)C2CC3C4(C)CCCC(C)(C(=O)O)C4CCC13C1C(=O)OC(=O)C21)C1CC(=O)OC1=O
InChIInChI=1S/C46H68O12.C46H68O11.C46H68O10/c1-6-7-12-16-28(30-26-35(49)55-40(30)50)19-20-29(17-13-10-8-9-11-14-18-34(47)48)57-58-39-36(27(2)3)31-25-33-44(4)22-15-23-45(5,43(53)54)32(44)21-24-46(33,39)38-37(31)41(51)56-42(38)52;1-6-7-12-16-28(30-26-35(49)56-40(30)50)19-20-29(17-13-10-8-9-11-14-18-34(47)48)55-39-36(27(2)3)31-25-33-44(4)22-15-23-45(5,43(53)54)32(44)21-24-46(33,39)38-37(31)41(51)57-42(38)52;1-6-7-12-16-28(30-26-35(49)55-40(30)50)19-20-29(17-13-10-8-9-11-14-18-34(47)48)38-36(27(2)3)31-25-33-44(4)22-15-23-45(5,43(53)54)32(44)21-24-46(33,38)39-37(31)41(51)56-42(39)52/h12,16,27-33,36-39H,6-11,13-15,17-26H2,1-5H3,(H,47,48)(H,53,54);12,16,27-33,36-39H,6-11,13-15,17-26H2,1-5H3,(H,47,48)(H,53,54);12,16,27-33,36-39H,6-11,13-15,17-26H2,1-5H3,(H,47,48)(H,53,54)/b3*16-12+
InChIKeyKXAVZXFQLSARSH-PWCMRECBSA-N
MW2391.12 g/mol
LogP26.52
Rot. Bonds60

About 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

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 (PubChem CID 159265511) has the molecular formula C138H204O33 and a molecular weight of 2391.12 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name18-[(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
PubChem CID159265511
Molecular FormulaC138H204O33
Molecular Weight2391.12 g/mol
Exact Mass2389.43
IUPAC Name18-[(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
SMILESCCC/C=C/C(CCC(CCCCCCCCC(=O)O)C1C(C(C)C)C2CC3C4(C)CCCC(C)(C(=O)O)C4CCC13C1C(=O)OC(=O)C21)C1CC(=O)OC1=O.CCC/C=C/C(CCC(CCCCCCCCC(=O)O)OC1C(C(C)C)C2CC3C4(C)CCCC(C)(C(=O)O)C4CCC13C1C(=O)OC(=O)C21)C1CC(=O)OC1=O.CCC/C=C/C(CCC(CCCCCCCCC(=O)O)OOC1C(C(C)C)C2CC3C4(C)CCCC(C)(C(=O)O)C4CCC13C1C(=O)OC(=O)C21)C1CC(=O)OC1=O
InChIInChI=1S/C46H68O12.C46H68O11.C46H68O10/c1-6-7-12-16-28(30-26-35(49)55-40(30)50)19-20-29(17-13-10-8-9-11-14-18-34(47)48)57-58-39-36(27(2)3)31-25-33-44(4)22-15-23-45(5,43(53)54)32(44)21-24-46(33,39)38-37(31)41(51)56-42(38)52;1-6-7-12-16-28(30-26-35(49)56-40(30)50)19-20-29(17-13-10-8-9-11-14-18-34(47)48)55-39-36(27(2)3)31-25-33-44(4)22-15-23-45(5,43(53)54)32(44)21-24-46(33,39)38-37(31)41(51)57-42(38)52;1-6-7-12-16-28(30-26-35(49)55-40(30)50)19-20-29(17-13-10-8-9-11-14-18-34(47)48)38-36(27(2)3)31-25-33-44(4)22-15-23-45(5,43(53)54)32(44)21-24-46(33,38)39-37(31)41(51)56-42(39)52/h12,16,27-33,36-39H,6-11,13-15,17-26H2,1-5H3,(H,47,48)(H,53,54);12,16,27-33,36-39H,6-11,13-15,17-26H2,1-5H3,(H,47,48)(H,53,54);12,16,27-33,36-39H,6-11,13-15,17-26H2,1-5H3,(H,47,48)(H,53,54)/b3*16-12+
InChIKeyKXAVZXFQLSARSH-PWCMRECBSA-N
XLogP26.52
TPSA511.71 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds60
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002391.12
LogP ≤ 526.52
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 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 with MolForge

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Related Compounds

(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
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-[(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
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
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
(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
3-(10-methyltetradec-7-en-6-yl)oxolane-2,5-dione
CID 134320042
3-[(7E,9Z)-18-cyclobutyl-18-oxooctadeca-7,9-dien-6-yl]oxolane-2,5-dione
CID 176945788

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC/C=C/C(CCC(CCCCCCCCC(=O)O)C1C(C(C)C)C2CC3C4(C)CCCC(C)(C(=O)O)C4CCC13C1C(=O)OC(=O)C21)C1CC(=O)OC1=O.CCC/C=C/C(CCC(CCCCCCCCC(=O)O)OC1C(C(C)C)C2CC3C4(C)CCCC(C)(C(=O)O)C4CCC13C1C(=O)OC(=O)C21)C1CC(=O)OC1=O.CCC/C=C/C(CCC(CCCCCCCCC(=O)O)OOC1C(C(C)C)C2CC3C4(C)CCCC(C)(C(=O)O)C4CCC13C1C(=O)OC(=O)C21)C1CC(=O)OC1=O.
What is the InChIKey of 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?
The InChIKey is KXAVZXFQLSARSH-PWCMRECBSA-N. The full InChI is InChI=1S/C46H68O12.C46H68O11.C46H68O10/c1-6-7-12-16-28(30-26-35(49)55-40(30)50)19-20-29(17-13-10-8-9-11-14-18-34(47)48)57-58-39-36(27(2)3)31-25-33-44(4)22-15-23-45(5,43(53)54)32(44)21-24-46(33,39)38-37(31)41(51)56-42(38)52;1-6-7-12-16-28(30-26-35(49)56-40(30)50)19-20-29(17-13-10-8-9-11-14-18-34(47)48)55-39-36(27(2)3)31-25-33-44(4)22-15-23-45(5,43(53)54)32(44)21-24-46(33,39)38-37(31)41(51)57-42(38)52;1-6-7-12-16-28(30-26-35(49)55-40(30)50)19-20-29(17-13-10-8-9-11-14-18-34(47)48)38-36(27(2)3)31-25-33-44(4)22-15-23-45(5,43(53)54)32(44)21-24-46(33,38)39-37(31)41(51)56-42(39)52/h12,16,27-33,36-39H,6-11,13-15,17-26H2,1-5H3,(H,47,48)(H,53,54);12,16,27-33,36-39H,6-11,13-15,17-26H2,1-5H3,(H,47,48)(H,53,54);12,16,27-33,36-39H,6-11,13-15,17-26H2,1-5H3,(H,47,48)(H,53,54)/b3*16-12+.
What are the key properties of 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?
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 has a molecular weight of 2391.12 g/mol, XLogP of 26.52, 60 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159265511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).