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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP027096

2-methyl-6-[(1S,2S,4S,6R,8R,9S,12R,13R)-5',7,9,13-tetramethyl-14-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxane-3,4,5-triol

Formula: C39H62O12  |  Mol. Weight: 722.90 g/mol

IUPAC: 2-methyl-6-[(1S,2S,4S,6R,8R,9S,12R,13R)-5',7,9,13-tetramethyl-14-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxane-3,4,5-triol

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Overview

Molecular Formula C39H62O12
Molecular Weight 722.90 g/mol
Canonical SMILES CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(C(CC(C6)OC7C(C(C(C(O7)C)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)C)OC1

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy