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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP022413

(1S,1'S,2R,3R,4'S,5R,6S,7'R,8S,10'S,11S,13'S,14R,14'R,15'R,17S,17'R,20R,25'R)-3,15'-dihydroxy-7',14-dimethylspiro[10,16,18-trioxahexacyclo[12.5.1.15,8.01,11.02,8.017,20]henicosane-6,21'-3,9,11,22-tetraoxaheptacyclo[15.6.1.17,10.01,14.04,13.018,23.013,25]pentacos-18(23)-ene]-2',7,9-trione

Formula: C40H48O12  |  Mol. Weight: 720.80 g/mol

IUPAC: (1S,1'S,2R,3R,4'S,5R,6S,7'R,8S,10'S,11S,13'S,14R,14'R,15'R,17S,17'R,20R,25'R)-3,15'-dihydroxy-7',14-dimethylspiro[10,16,18-trioxahexacyclo[12.5.1.15,8.01,11.02,8.017,20]henicosane-6,21'-3,9,11,22-tetraoxaheptacyclo[15.6.1.17,10.01,14.04,13.018,23.013,25]pentacos-18(23)-ene]-2',7,9-trione

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Overview

Molecular Formula C40H48O12
Molecular Weight 720.80 g/mol
Canonical SMILES CC12CCC3C4(C1C(OC2)OC4)C5C(CC6CC5(C7=C6CCC8(O7)C9CC(C1C(C9)(C8=O)C(=O)OC2C11COC4C1C(CC2)(CO4)C)O)C(=O)O3)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy