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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP032370

[(3R,5aR,6R,7S,9aR)-6-[2-[(3R,5aR,6S,9aR)-3-hydroxy-2,2,5a-trimethyl-7-methylidene-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-6-yl]ethyl]-7-acetyloxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-3-yl] acetate

Formula: C34H56O7  |  Mol. Weight: 576.80 g/mol

IUPAC: [(3R,5aR,6R,7S,9aR)-6-[2-[(3R,5aR,6S,9aR)-3-hydroxy-2,2,5a-trimethyl-7-methylidene-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-6-yl]ethyl]-7-acetyloxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-3-yl] acetate

Overview

Molecular Formula C34H56O7
Molecular Weight 576.80 g/mol
Canonical SMILES CC(=O)OC1CCC2(C(CCC(C2CCC3C(=C)CCC4C3(CCC(C(O4)(C)C)O)C)(C)OC(=O)C)OC1(C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy