BIMP Logo
SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038695

[(1S,3S,4S,5S,10R,12S,14R,15S,16R,18R,19S,20R,22S)-3-acetyloxy-5-(furan-3-yl)-15,16-dihydroxy-19-(2-methoxy-2-oxoethyl)-4,18,20-trimethyl-7-oxo-12-propan-2-yl-6,11,13,21-tetraoxaheptacyclo[10.8.1.115,18.01,10.04,9.010,14.016,20]docos-8-en-22-yl] (E)-2-methylbut-2-enoate

Formula: C38H46O14  |  Mol. Weight: 726.80 g/mol

IUPAC: [(1S,3S,4S,5S,10R,12S,14R,15S,16R,18R,19S,20R,22S)-3-acetyloxy-5-(furan-3-yl)-15,16-dihydroxy-19-(2-methoxy-2-oxoethyl)-4,18,20-trimethyl-7-oxo-12-propan-2-yl-6,11,13,21-tetraoxaheptacyclo[10.8.1.115,18.01,10.04,9.010,14.016,20]docos-8-en-22-yl] (E)-2-methylbut-2-enoate

3D View Find Similar

Overview

Molecular Formula C38H46O14
Molecular Weight 726.80 g/mol
Canonical SMILES CC=C(C)C(=O)OC1C2(CC3(C1(C4C56C7=CC(=O)OC(C7(C(CC5(C3(C2CC(=O)OC)C)OC(O4)(O6)C(C)C)OC(=O)C)C)C8=COC=C8)O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy