(5E,7E,9E,11E,13E,15E,18S,20S,22S,23E,26S,27E,30S,32S,34S)-18,20,22,26,30,32-hexahydroxy-34-methyl-1-oxacyclotetratriaconta-5,7,9,11,13,15,23,27-octaen-2-one

C34H50O8 — CID 146683204

IUPAC(5E,7E,9E,11E,13E,15E,18S,20S,22S,23E,26S,27E,30S,32S,34S)-18,20,22,26,30,32-hexahydroxy-34-methyl-1-oxacyclotetratriaconta-5,7,9,11,13,15,23,27-octaen-2-one
SMILESC[C@H]1C[C@@H](O)C[C@@H](O)C/C=C/[C@@H](O)C/C=C/[C@@H](O)C[C@@H](O)C[C@@H](O)C/C=C/C=C/C=C/C=C/C=C/C=C/CCC(=O)O1
InChIInChI=1S/C34H50O8/c1-27-23-32(39)24-30(37)20-15-18-28(35)19-16-21-31(38)26-33(40)25-29(36)17-13-11-9-7-5-3-2-4-6-8-10-12-14-22-34(41)42-27/h2-13,15-16,18,21,27-33,35-40H,14,17,19-20,22-26H2,1H3/b4-2+,5-3+,8-6+,9-7+,12-10+,13-11+,18-15+,21-16+/t27-,28+,29-,30-,31+,32+,33-/m0/s1
InChIKeyYHGHPAXZWKFSBY-UHRIAHHDSA-N
MW586.77 g/mol
LogP4.06
Rot. Bonds

About (5E,7E,9E,11E,13E,15E,18S,20S,22S,23E,26S,27E,30S,32S,34S)-18,20,22,26,30,32-hexahydroxy-34-methyl-1-oxacyclotetratriaconta-5,7,9,11,13,15,23,27-octaen-2-one

(5E,7E,9E,11E,13E,15E,18S,20S,22S,23E,26S,27E,30S,32S,34S)-18,20,22,26,30,32-hexahydroxy-34-methyl-1-oxacyclotetratriaconta-5,7,9,11,13,15,23,27-octaen-2-one (PubChem CID 146683204) has the molecular formula C34H50O8 and a molecular weight of 586.77 g/mol. Its IUPAC name is (5E,7E,9E,11E,13E,15E,18S,20S,22S,23E,26S,27E,30S,32S,34S)-18,20,22,26,30,32-hexahydroxy-34-methyl-1-oxacyclotetratriaconta-5,7,9,11,13,15,23,27-octaen-2-one.

Molecular Properties

Compound Name(5E,7E,9E,11E,13E,15E,18S,20S,22S,23E,26S,27E,30S,32S,34S)-18,20,22,26,30,32-hexahydroxy-34-methyl-1-oxacyclotetratriaconta-5,7,9,11,13,15,23,27-octaen-2-one
PubChem CID146683204
Molecular FormulaC34H50O8
Molecular Weight586.77 g/mol
Exact Mass586.35
IUPAC Name(5E,7E,9E,11E,13E,15E,18S,20S,22S,23E,26S,27E,30S,32S,34S)-18,20,22,26,30,32-hexahydroxy-34-methyl-1-oxacyclotetratriaconta-5,7,9,11,13,15,23,27-octaen-2-one
SMILESC[C@H]1C[C@@H](O)C[C@@H](O)C/C=C/[C@@H](O)C/C=C/[C@@H](O)C[C@@H](O)C[C@@H](O)C/C=C/C=C/C=C/C=C/C=C/C=C/CCC(=O)O1
InChIInChI=1S/C34H50O8/c1-27-23-32(39)24-30(37)20-15-18-28(35)19-16-21-31(38)26-33(40)25-29(36)17-13-11-9-7-5-3-2-4-6-8-10-12-14-22-34(41)42-27/h2-13,15-16,18,21,27-33,35-40H,14,17,19-20,22-26H2,1H3/b4-2+,5-3+,8-6+,9-7+,12-10+,13-11+,18-15+,21-16+/t27-,28+,29-,30-,31+,32+,33-/m0/s1
InChIKeyYHGHPAXZWKFSBY-UHRIAHHDSA-N
XLogP4.06
TPSA147.68 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.77
LogP ≤ 54.06
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (5E,7E,9E,11E,13E,15E,18S,20S,22S,23E,26S,27E,30S,32S,34S)-18,20,22,26,30,32-hexahydroxy-34-methyl-1-oxacyclotetratriaconta-5,7,9,11,13,15,23,27-octaen-2-one with MolForge

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Related Compounds

(3Z,5Z,8R,9Z,11Z,14R,16R,17Z,19Z,24R)-8,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one
CID 163070469
(3Z,5E,8S,9E,11Z,14S,16R,17E,19E,24R)-8,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one
CID 10949443
(3Z,5E,8R,9E,11Z,14S,16R,17E,22R)-8,14,16-trihydroxy-22-methyl-1-oxacyclodocosa-3,5,9,11,17-pentaen-2-one
CID 162913525
(4S,8R,12R)-4,8-dihydroxy-12-methyl-1-oxacyclododeca-5,9-dien-2-one
CID 139587617
(4S,8S,12R)-4,8-dihydroxy-12-methyl-1-oxacyclododeca-5,9-dien-2-one
CID 139585365
(3E,5E,7E,9E,11E,29E)-32-butan-2-yl-14,16,18,20,22,24,26,28-octahydroxy-31-methyl-1-oxacyclodotriaconta-3,5,7,9,11,29-hexaen-2-one
CID 146684569
(3E,5Z,7E,9Z,11E,29E)-32-butan-2-yl-14,16,18,20,22,24,26,28-octahydroxy-31-methyl-1-oxacyclodotriaconta-3,5,7,9,11,29-hexaen-2-one
CID 146684573
(3Z,5E,8R,9E,11Z,14S,16R,17E,19E,24S)-24-ethyl-8,14,16-trihydroxy-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one
CID 163101541
(3Z,5Z,8R,9Z,11Z,13R,14R,16R,17Z,19Z,24R)-8,13,14,16-tetrahydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one
CID 139587772
(2R,4S,5E,7S)-4,7-dihydroxy-2-methyl-2,3,4,7,8,9-hexahydrooxecin-10-one
CID 24770096
8,14-dihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,19-pentaene-2,16-dione
CID 72731979
(3Z,5R,8R,11Z,14S,16R)-5,14-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione
CID 163012822

Frequently Asked Questions

What is the IUPAC name of (5E,7E,9E,11E,13E,15E,18S,20S,22S,23E,26S,27E,30S,32S,34S)-18,20,22,26,30,32-hexahydroxy-34-methyl-1-oxacyclotetratriaconta-5,7,9,11,13,15,23,27-octaen-2-one?
The IUPAC name of (5E,7E,9E,11E,13E,15E,18S,20S,22S,23E,26S,27E,30S,32S,34S)-18,20,22,26,30,32-hexahydroxy-34-methyl-1-oxacyclotetratriaconta-5,7,9,11,13,15,23,27-octaen-2-one (CID 146683204) is (5E,7E,9E,11E,13E,15E,18S,20S,22S,23E,26S,27E,30S,32S,34S)-18,20,22,26,30,32-hexahydroxy-34-methyl-1-oxacyclotetratriaconta-5,7,9,11,13,15,23,27-octaen-2-one.
What is the SMILES notation for (5E,7E,9E,11E,13E,15E,18S,20S,22S,23E,26S,27E,30S,32S,34S)-18,20,22,26,30,32-hexahydroxy-34-methyl-1-oxacyclotetratriaconta-5,7,9,11,13,15,23,27-octaen-2-one?
The canonical SMILES for (5E,7E,9E,11E,13E,15E,18S,20S,22S,23E,26S,27E,30S,32S,34S)-18,20,22,26,30,32-hexahydroxy-34-methyl-1-oxacyclotetratriaconta-5,7,9,11,13,15,23,27-octaen-2-one is C[C@H]1C[C@@H](O)C[C@@H](O)C/C=C/[C@@H](O)C/C=C/[C@@H](O)C[C@@H](O)C[C@@H](O)C/C=C/C=C/C=C/C=C/C=C/C=C/CCC(=O)O1.
What is the InChIKey of (5E,7E,9E,11E,13E,15E,18S,20S,22S,23E,26S,27E,30S,32S,34S)-18,20,22,26,30,32-hexahydroxy-34-methyl-1-oxacyclotetratriaconta-5,7,9,11,13,15,23,27-octaen-2-one?
The InChIKey is YHGHPAXZWKFSBY-UHRIAHHDSA-N. The full InChI is InChI=1S/C34H50O8/c1-27-23-32(39)24-30(37)20-15-18-28(35)19-16-21-31(38)26-33(40)25-29(36)17-13-11-9-7-5-3-2-4-6-8-10-12-14-22-34(41)42-27/h2-13,15-16,18,21,27-33,35-40H,14,17,19-20,22-26H2,1H3/b4-2+,5-3+,8-6+,9-7+,12-10+,13-11+,18-15+,21-16+/t27-,28+,29-,30-,31+,32+,33-/m0/s1.
What are the key properties of (5E,7E,9E,11E,13E,15E,18S,20S,22S,23E,26S,27E,30S,32S,34S)-18,20,22,26,30,32-hexahydroxy-34-methyl-1-oxacyclotetratriaconta-5,7,9,11,13,15,23,27-octaen-2-one?
(5E,7E,9E,11E,13E,15E,18S,20S,22S,23E,26S,27E,30S,32S,34S)-18,20,22,26,30,32-hexahydroxy-34-methyl-1-oxacyclotetratriaconta-5,7,9,11,13,15,23,27-octaen-2-one has a molecular weight of 586.77 g/mol, XLogP of 4.06, 0 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7E,9E,11E,13E,15E,18S,20S,22S,23E,26S,27E,30S,32S,34S)-18,20,22,26,30,32-hexahydroxy-34-methyl-1-oxacyclotetratriaconta-5,7,9,11,13,15,23,27-octaen-2-one is sourced from PubChem (CID 146683204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).