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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP035978

2,16-dihydroxy-4,4,9,13,14-pentamethyl-17-(2,5,6-trihydroxy-6-methyl-3-oxoheptan-2-yl)-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione;16-hydroxy-4,4,9,13,14-pentamethyl-17-(2,5,6-trihydroxy-6-methyl-3-oxoheptan-2-yl)-1,7,8,10,12,15,16,17-octahydrocyclopenta[a]phenanthrene-2,3,11-trione

Formula: C60H88O16  |  Mol. Weight: 1065.30 g/mol

IUPAC: 2,16-dihydroxy-4,4,9,13,14-pentamethyl-17-(2,5,6-trihydroxy-6-methyl-3-oxoheptan-2-yl)-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione;16-hydroxy-4,4,9,13,14-pentamethyl-17-(2,5,6-trihydroxy-6-methyl-3-oxoheptan-2-yl)-1,7,8,10,12,15,16,17-octahydrocyclopenta[a]phenanthrene-2,3,11-trione

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Overview

Molecular Formula C60H88O16
Molecular Weight 1065.30 g/mol
Canonical SMILES CC1(C2=CCC3C4(CC(C(C4(CC(=O)C3(C2CC(=O)C1=O)C)C)C(C)(C(=O)CC(C(C)(C)O)O)O)O)C)C.CC1(C2=CCC3C4(CC(C(C4(CC(=O)C3(C2C=C(C1=O)O)C)C)C(C)(C(=O)CC(C(C)(C)O)O)O)O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy