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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP025427

[(2R,3S,4R,6R)-6-[(1S,3aR,3'aR,4S,6aR,7'S,9'aR,9'bS)-1,3a,9'a-trimethyl-1',3-dioxospiro[1,5,6,6a-tetrahydrocyclopenta[c]furan-4,3'-4,6,7,8,9,9b-hexahydro-3aH-benzo[e][2]benzofuran]-7'-yl]oxy-4-methoxy-2-methyloxan-3-yl] acetate

Formula: C30H42O9  |  Mol. Weight: 546.60 g/mol

IUPAC: [(2R,3S,4R,6R)-6-[(1S,3aR,3'aR,4S,6aR,7'S,9'aR,9'bS)-1,3a,9'a-trimethyl-1',3-dioxospiro[1,5,6,6a-tetrahydrocyclopenta[c]furan-4,3'-4,6,7,8,9,9b-hexahydro-3aH-benzo[e][2]benzofuran]-7'-yl]oxy-4-methoxy-2-methyloxan-3-yl] acetate

Overview

Molecular Formula C30H42O9
Molecular Weight 546.60 g/mol
Canonical SMILES CC1C2CCC3(C2(C(=O)O1)C)C4CC=C5CC(CCC5(C4C(=O)O3)C)OC6CC(C(C(O6)C)OC(=O)C)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy