Hederagenin diacetate

Base Information

• Chemical Name: Hederagenin diacetate
• CAS No.: 5672-32-2
• Molecular Formula: C₃₄H₅₂O₆
• Molecular Weight: 556.783
• UNII: V10FP6N5VT
• ChEMBL ID: CHEMBL4167113
• DSSTox Substance ID: DTXSID10205281
• Nikkaji Number: J303.037G
• Wikidata: Q27291390

Synonyms:Hederagenin diacetate;Diacetylhederagenin;O,O-Diacetylhederagenin;Hederagenin diacetate [MI];UNII-V10FP6N5VT;V10FP6N5VT;5672-32-2;Olean-12-en-28-oic acid, 3beta,23-dihydroxy-, diacetate;Olean-12-en-28-oic acid, 3,23-bis(acetyloxy)-, (3beta,4alpha)-;CHEMBL4167113;DTXSID10205281;Olean-12-en-28-oic acid, 3.beta.,23-dihydroxy-, diacetate;Olean-12-en-28-oic acid, 3,23-bis(acetyloxy)-, (3.beta.,4.alpha.)-;Q27291390

Chemical Property of Hederagenin diacetate

Chemical Property:

• XLogP3: 7.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 556.37638937
• Heavy Atom Count: 40
• Complexity: 1120

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC(=O)OCC1(C2CCC3(C(C2(CCC1OC(=O)C)C)CC=C4C3(CCC5(C4CC(CC5)(C)C)C(=O)O)C)C)C
• Isomeric SMILES: CC(=O)OC[C@]1([C@@H]2CC[C@@]3([C@@H]([C@]2(CC[C@@H]1OC(=O)C)C)CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)C

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