Naheedin

HCID 129754

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 106807-35-6
Standard SMILES: CCC(C)[C@@H]1C[C@H]([C@@H]2CC=C3[C@@]4(C)[C@H]([C@H](O)C[C@]32C)[C@@]2(C)C=CC(=O)C(C)(C)[C@@H]2C[C@H]4OC(C)=O)[C@@H](O)O1
InChIKey: WDFBTQUPHDHIQD-YUOXBHLDSA-N
Molecular formula: C32H48O6
Average molar mass: 528.7 g/mol
Monoisotopic mass: 528.34508925

Overview

Naheedin has been reported in Azadirachta indica with data available.

Names & identifiers

Preferred name: Naheedin
IUPAC: [(5R,7R,8R,9R,10S,11R,13S,17S)-17-[(2S,3R,5S)-5-butan-2-yl-2-hydroxyoxolan-3-yl]-11-hydroxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate
English name: naheedin
Molecular formula: C32H48O6
Molecular weight: 528.71992

Names & synonyms

Naheedin20,22-Dihydroazadirachtol106807-35-6Azadirachtol, 20,22-dihydro-[(5R,7R,8R,9R,10S,11R,13S,17S)-17-[(2S,3R,5S)-5-butan-2-yl-2-hydroxyoxolan-3-yl]-11-hydroxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetateCholesta-1,14-dien-3-one, 7-(acetyloxy)-21,23-epoxy-11,21-dihydroxy-4,4,8-trimethyl-, (5alpha,7alpha,11alpha,13alpha,17alpha,21S,23R)-((5R,7R,8R,9R,10S,11R,13S,17S)-17-((2S,3R,5S)-5-butan-2-yl-2-hydroxyoxolan-3-yl)-11-hydroxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta(a)phenanthren-7-yl) acetateRefChem:164433

Database identifiers

CAS: 106807-35-6
PubChem CID: 129754

Properties

Computed structural properties

XLogP: 5.3
Topological polar surface area: 93.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 38
Formal charge: 0
Complexity: 1,060

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…