(2E,6E,20E)-13,14,17,19-tetrahydroxy-7,10,12,19,21,24-hexamethyl-22-methylidene-9,27-dioxabicyclo[24.1.0]heptacosa-2,6,20-triene-8,15-dione

C32H50O8 — CID 10482974

IUPAC(2E,6E,20E)-13,14,17,19-tetrahydroxy-7,10,12,19,21,24-hexamethyl-22-methylidene-9,27-dioxabicyclo[24.1.0]heptacosa-2,6,20-triene-8,15-dione
SMILESC=C1CC(C)CC2OC2/C=C/CC/C=C(\C)C(=O)OC(C)CC(C)C(O)C(O)C(=O)CC(O)CC(C)(O)/C=C/1C
InChIInChI=1S/C32H50O8/c1-19-13-21(3)23(5)17-32(7,38)18-25(33)16-26(34)30(36)29(35)22(4)15-24(6)39-31(37)20(2)11-9-8-10-12-27-28(14-19)40-27/h10-12,17,19,22,24-25,27-30,33,35-36,38H,3,8-9,13-16,18H2,1-2,4-7H3/b12-10+,20-11+,23-17+
InChIKeyGGJNLIITUQBONU-VRHXEODVSA-N
MW562.74 g/mol
LogP4.11
Rot. Bonds

About (2E,6E,20E)-13,14,17,19-tetrahydroxy-7,10,12,19,21,24-hexamethyl-22-methylidene-9,27-dioxabicyclo[24.1.0]heptacosa-2,6,20-triene-8,15-dione

(2E,6E,20E)-13,14,17,19-tetrahydroxy-7,10,12,19,21,24-hexamethyl-22-methylidene-9,27-dioxabicyclo[24.1.0]heptacosa-2,6,20-triene-8,15-dione (PubChem CID 10482974) has the molecular formula C32H50O8 and a molecular weight of 562.74 g/mol. Its IUPAC name is (2E,6E,20E)-13,14,17,19-tetrahydroxy-7,10,12,19,21,24-hexamethyl-22-methylidene-9,27-dioxabicyclo[24.1.0]heptacosa-2,6,20-triene-8,15-dione.

Molecular Properties

Compound Name(2E,6E,20E)-13,14,17,19-tetrahydroxy-7,10,12,19,21,24-hexamethyl-22-methylidene-9,27-dioxabicyclo[24.1.0]heptacosa-2,6,20-triene-8,15-dione
PubChem CID10482974
Molecular FormulaC32H50O8
Molecular Weight562.74 g/mol
Exact Mass562.35
IUPAC Name(2E,6E,20E)-13,14,17,19-tetrahydroxy-7,10,12,19,21,24-hexamethyl-22-methylidene-9,27-dioxabicyclo[24.1.0]heptacosa-2,6,20-triene-8,15-dione
SMILESC=C1CC(C)CC2OC2/C=C/CC/C=C(\C)C(=O)OC(C)CC(C)C(O)C(O)C(=O)CC(O)CC(C)(O)/C=C/1C
InChIInChI=1S/C32H50O8/c1-19-13-21(3)23(5)17-32(7,38)18-25(33)16-26(34)30(36)29(35)22(4)15-24(6)39-31(37)20(2)11-9-8-10-12-27-28(14-19)40-27/h10-12,17,19,22,24-25,27-30,33,35-36,38H,3,8-9,13-16,18H2,1-2,4-7H3/b12-10+,20-11+,23-17+
InChIKeyGGJNLIITUQBONU-VRHXEODVSA-N
XLogP4.11
TPSA136.82 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.74
LogP ≤ 54.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2E,6E,20E)-13,14,17,19-tetrahydroxy-7,10,12,19,21,24-hexamethyl-22-methylidene-9,27-dioxabicyclo[24.1.0]heptacosa-2,6,20-triene-8,15-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E,6E,20E)-13,14,17,19-tetrahydroxy-7,10,12,19,21,24-hexamethyl-22-methylidene-9,27-dioxabicyclo[24.1.0]heptacosa-2,6,20-triene-8,15-dione?
The IUPAC name of (2E,6E,20E)-13,14,17,19-tetrahydroxy-7,10,12,19,21,24-hexamethyl-22-methylidene-9,27-dioxabicyclo[24.1.0]heptacosa-2,6,20-triene-8,15-dione (CID 10482974) is (2E,6E,20E)-13,14,17,19-tetrahydroxy-7,10,12,19,21,24-hexamethyl-22-methylidene-9,27-dioxabicyclo[24.1.0]heptacosa-2,6,20-triene-8,15-dione.
What is the SMILES notation for (2E,6E,20E)-13,14,17,19-tetrahydroxy-7,10,12,19,21,24-hexamethyl-22-methylidene-9,27-dioxabicyclo[24.1.0]heptacosa-2,6,20-triene-8,15-dione?
The canonical SMILES for (2E,6E,20E)-13,14,17,19-tetrahydroxy-7,10,12,19,21,24-hexamethyl-22-methylidene-9,27-dioxabicyclo[24.1.0]heptacosa-2,6,20-triene-8,15-dione is C=C1CC(C)CC2OC2/C=C/CC/C=C(\C)C(=O)OC(C)CC(C)C(O)C(O)C(=O)CC(O)CC(C)(O)/C=C/1C.
What is the InChIKey of (2E,6E,20E)-13,14,17,19-tetrahydroxy-7,10,12,19,21,24-hexamethyl-22-methylidene-9,27-dioxabicyclo[24.1.0]heptacosa-2,6,20-triene-8,15-dione?
The InChIKey is GGJNLIITUQBONU-VRHXEODVSA-N. The full InChI is InChI=1S/C32H50O8/c1-19-13-21(3)23(5)17-32(7,38)18-25(33)16-26(34)30(36)29(35)22(4)15-24(6)39-31(37)20(2)11-9-8-10-12-27-28(14-19)40-27/h10-12,17,19,22,24-25,27-30,33,35-36,38H,3,8-9,13-16,18H2,1-2,4-7H3/b12-10+,20-11+,23-17+.
What are the key properties of (2E,6E,20E)-13,14,17,19-tetrahydroxy-7,10,12,19,21,24-hexamethyl-22-methylidene-9,27-dioxabicyclo[24.1.0]heptacosa-2,6,20-triene-8,15-dione?
(2E,6E,20E)-13,14,17,19-tetrahydroxy-7,10,12,19,21,24-hexamethyl-22-methylidene-9,27-dioxabicyclo[24.1.0]heptacosa-2,6,20-triene-8,15-dione has a molecular weight of 562.74 g/mol, XLogP of 4.11, 0 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,20E)-13,14,17,19-tetrahydroxy-7,10,12,19,21,24-hexamethyl-22-methylidene-9,27-dioxabicyclo[24.1.0]heptacosa-2,6,20-triene-8,15-dione is sourced from PubChem (CID 10482974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).