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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004205

(3R,8R,16S,22R,24S)-10,22-dihydroxy-12,19-bis(2-hydroxypropan-2-yl)-4,4,8,25,25-pentamethyl-2,17-dioxaheptacyclo[16.13.0.03,8.03,16.09,14.021,31.024,29]hentriaconta-1(31),9,12,14,18,20,28-heptaen-11-one

Formula: C40H52O7  |  Mol. Weight: 644.80 g/mol

IUPAC: (3R,8R,16S,22R,24S)-10,22-dihydroxy-12,19-bis(2-hydroxypropan-2-yl)-4,4,8,25,25-pentamethyl-2,17-dioxaheptacyclo[16.13.0.03,8.03,16.09,14.021,31.024,29]hentriaconta-1(31),9,12,14,18,20,28-heptaen-11-one

Overview

Molecular Formula C40H52O7
Molecular Weight 644.80 g/mol
Canonical SMILES CC1(CCC=C2C1CC(C3=CC(=C4C(=C3C2)OC56C(O4)C=C7C=C(C(=O)C(=C7C5(CCCC6(C)C)C)O)C(C)(C)O)C(C)(C)O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy