(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

C24H34O6 — CID 139587772

IUPAC(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
SMILESC[C@@H]1CCC/C=C\C=C/[C@H](O)C[C@@H](O)[C@H](O)/C=C\C=C/[C@H](O)C/C=C\C=C/C(=O)O1
InChIInChI=1S/C24H34O6/c1-19-12-6-3-2-4-7-15-21(26)18-23(28)22(27)16-11-10-14-20(25)13-8-5-9-17-24(29)30-19/h2,4-5,7-11,14-17,19-23,25-28H,3,6,12-13,18H2,1H3/b4-2-,8-5-,14-10-,15-7-,16-11-,17-9-/t19-,20-,21+,22-,23-/m1/s1
InChIKeyNRAXHZVAYZPXKQ-BHWGLSPDSA-N
MW418.53 g/mol
LogP2.66
Rot. Bonds

About (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

(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 (PubChem CID 139587772) has the molecular formula C24H34O6 and a molecular weight of 418.53 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID139587772
Molecular FormulaC24H34O6
Molecular Weight418.53 g/mol
Exact Mass418.24
IUPAC Name(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
SMILESC[C@@H]1CCC/C=C\C=C/[C@H](O)C[C@@H](O)[C@H](O)/C=C\C=C/[C@H](O)C/C=C\C=C/C(=O)O1
InChIInChI=1S/C24H34O6/c1-19-12-6-3-2-4-7-15-21(26)18-23(28)22(27)16-11-10-14-20(25)13-8-5-9-17-24(29)30-19/h2,4-5,7-11,14-17,19-23,25-28H,3,6,12-13,18H2,1H3/b4-2-,8-5-,14-10-,15-7-,16-11-,17-9-/t19-,20-,21+,22-,23-/m1/s1
InChIKeyNRAXHZVAYZPXKQ-BHWGLSPDSA-N
XLogP2.66
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 52.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (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 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
8,14-dihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,19-pentaene-2,16-dione
CID 72731979
(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
4-[[(3E,5E,9E,11Z,17E,19E)-14,16-dihydroxy-24-methyl-2-oxo-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl]oxy]-4-oxobutanoic acid
CID 156963218
4-[[(9E)-14,16-dihydroxy-24-methyl-2-oxo-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl]oxy]-4-oxobutanoic acid
CID 172799055
(5E,8S,9E,11E,14S,16R,17E,19E,24R)-14,16-dihydroxy-24-methyl-8-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one
CID 163194197
(3Z,5E,8S,9E,11Z,14S,16R,17E,19Z,24R)-14,16-dihydroxy-24-methyl-8-[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one
CID 23634446
(2R,5R,6Z,8Z)-5-hydroxy-2-methyl-2,3,4,5-tetrahydrooxecin-10-one
CID 140681812
(2R,5R,6E,8Z)-5-hydroxy-2-methyl-2,3,4,5-tetrahydrooxecin-10-one
CID 131749935
(3E,8R,11E,13E,16R)-8-hydroxy-16-methyl-1-oxacyclohexadeca-3,11,13-trien-2-one
CID 38357897

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@@H]1CCC/C=C\C=C/[C@H](O)C[C@@H](O)[C@H](O)/C=C\C=C/[C@H](O)C/C=C\C=C/C(=O)O1.
What is the InChIKey of (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?
The InChIKey is NRAXHZVAYZPXKQ-BHWGLSPDSA-N. The full InChI is InChI=1S/C24H34O6/c1-19-12-6-3-2-4-7-15-21(26)18-23(28)22(27)16-11-10-14-20(25)13-8-5-9-17-24(29)30-19/h2,4-5,7-11,14-17,19-23,25-28H,3,6,12-13,18H2,1H3/b4-2-,8-5-,14-10-,15-7-,16-11-,17-9-/t19-,20-,21+,22-,23-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 418.53 g/mol, XLogP of 2.66, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 139587772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).