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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001931

[(1S,3R,3'S,4R,5R,6S,7R,8S,10S,12S,16R,18S,21R)-7-hydroxy-3'-(2-hydroxypropan-2-yl)-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-13-ene-8,2'-oxirane]-3-yl] acetate

Formula: C37H56O11  |  Mol. Weight: 676.80 g/mol

IUPAC: [(1S,3R,3'S,4R,5R,6S,7R,8S,10S,12S,16R,18S,21R)-7-hydroxy-3'-(2-hydroxypropan-2-yl)-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-13-ene-8,2'-oxirane]-3-yl] acetate

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Overview

Molecular Formula C37H56O11
Molecular Weight 676.80 g/mol
Canonical SMILES CC1C2C(CC3(C2(C(CC45C3=CCC6C4(C5)CCC(C6(C)C)OC7C(C(C(CO7)O)O)O)OC(=O)C)C)C)OC8(C1O)C(O8)C(C)(C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy