BIMP Logo
SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000616

(1S,4R,9R,10R,11R,12S,13Z,16R)-11-hydroxy-13-[(2Z)-2-[(1S,4R,9R,10R,11R,12S,16R)-11-hydroxy-5,5,9-trimethyl-14,18-dioxo-15,17-dioxapentacyclo[9.5.2.01,10.04,9.012,16]octadecan-13-ylidene]ethylidene]-5,5,9-trimethyl-15,17-dioxapentacyclo[9.5.2.01,10.04,9.012,16]octadecane-14,18-dione

Formula: C40H50O10  |  Mol. Weight: 690.80 g/mol

IUPAC: (1S,4R,9R,10R,11R,12S,13Z,16R)-11-hydroxy-13-[(2Z)-2-[(1S,4R,9R,10R,11R,12S,16R)-11-hydroxy-5,5,9-trimethyl-14,18-dioxo-15,17-dioxapentacyclo[9.5.2.01,10.04,9.012,16]octadecan-13-ylidene]ethylidene]-5,5,9-trimethyl-15,17-dioxapentacyclo[9.5.2.01,10.04,9.012,16]octadecane-14,18-dione

3D View Find Similar

Overview

Molecular Formula C40H50O10
Molecular Weight 690.80 g/mol
Canonical SMILES CC1(CCCC2(C1CCC34C2C(C5C3OC(=O)C5=CC=C6C7C(C89CCC1C(CCCC1(C8C7(C(=O)O9)O)C)(C)C)OC6=O)(C(=O)O4)O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy