(1aR-(1aalpha,2abeta,6alpha,6abeta,7aalpha))-6-(Acetyloxy)spiro(2a,6a-epoxynaphth(2,3-b)oxirene-2(1aH),2'-naphtho(1,8-de)(1,3)dioxin)-3,7(6H,7aH)-dione

Base Information

• Chemical Name: (1aR-(1aalpha,2abeta,6alpha,6abeta,7aalpha))-6-(Acetyloxy)spiro(2a,6a-epoxynaphth(2,3-b)oxirene-2(1aH),2'-naphtho(1,8-de)(1,3)dioxin)-3,7(6H,7aH)-dione
• CAS No.: 155321-53-2
• Molecular Formula: C22H14 O8
• DSSTox Substance ID: DTXSID00935186
• Wikidata: Q82911203
• Mol file: 155321-53-2.mol

Synonyms:Sch 50672;Sch-50672

Chemical Property of (1aR-(1aalpha,2abeta,6alpha,6abeta,7aalpha))-6-(Acetyloxy)spiro(2a,6a-epoxynaphth(2,3-b)oxirene-2(1aH),2'-naphtho(1,8-de)(1,3)dioxin)-3,7(6H,7aH)-dione

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 406.06886740
• Heavy Atom Count: 30
• Complexity: 891

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1C=CC(=O)C23C1(O2)C(=O)C4C(C35OC6=CC=CC7=C6C(=CC=C7)O5)O4
• Isomeric SMILES: CC(=O)O[C@H]1C=CC(=O)[C@@]23[C@@]1(O2)C(=O)[C@@H]4[C@H](C35OC6=CC=CC7=C6C(=CC=C7)O5)O4