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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP007677

(3Z,3aR,3bS,5aR,6S,8aR,8bR,10aR)-3-[[[(Z)-[(3aR,3bS,5aR,6S,8aR,8bR,10aR)-6-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,1,3a,8a,8b-pentamethyl-2-oxo-3b,4,5,5a,6,7,8,9,10,10a-decahydroindeno[6,7-e]inden-3-ylidene]methyl]amino]methylidene]-6-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,1,3a,8a,8b-pentamethyl-3b,4,5,5a,6,7,8,9,10,10a-decahydroindeno[5,4-e]inden-2-one

Formula: C60H95NO6  |  Mol. Weight: 926.40 g/mol

IUPAC: (3Z,3aR,3bS,5aR,6S,8aR,8bR,10aR)-3-[[[(Z)-[(3aR,3bS,5aR,6S,8aR,8bR,10aR)-6-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,1,3a,8a,8b-pentamethyl-2-oxo-3b,4,5,5a,6,7,8,9,10,10a-decahydroindeno[6,7-e]inden-3-ylidene]methyl]amino]methylidene]-6-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,1,3a,8a,8b-pentamethyl-3b,4,5,5a,6,7,8,9,10,10a-decahydroindeno[5,4-e]inden-2-one

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Overview

Molecular Formula C60H95NO6
Molecular Weight 926.40 g/mol
Canonical SMILES CC1(C2CCC3(C(C2(C(=CNC=C4C(=O)C(C5C4(C6CCC7C(CCC7(C6(CC5)C)C)C8(CCC(O8)C(C)(C)O)C)C)(C)C)C1=O)C)CCC9C3(CCC9C1(CCC(O1)C(C)(C)O)C)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy