Betulin Diacetate

• Catalog Number: ACM1721693
• Product Name: Betulin Diacetate
• CAS: 1721-69-3
• Category: Inhibitors
• Description: Betulin diacetate, a triterpene and derivative of Betulin, is an anti-AID agent and also possesses anti-cancer activity.
• Synonyms: BETULIN DIACETATE;LUP-20(29)-EN-3,28-DIOL, DIACETATE, (3B);Lup-20(29)-ene-3,28-diol, diacetate, (3beta)-;BETULIN DIACETATE(RG);3β,28-Di-O-acetylbetulin;Lup-20(29)-ene-3β,28-diol diacetate;Einecs 217-015-5
• IUPAC Name: [(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-acetyloxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]methylacetate
• Molecular Weight: 526.79
• Molecular Formula: C34H54O4
• Canonical SMILES: CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C)C)COC(=O)C
• InChI Key: MIROITGPMGDCGI-MQXQNARFSA-N
• Boiling Point: 548.1ºC at 760mmHg
• Melting Point: 221-223ºC
• Flash Point: 258ºC
• Density: 1.06g/cm³
• Appearance: Solid
• Storage: 4°C, protect from light*In solvent : -80°C, 6 months; -20°C, 1 month (protect from light).
• EC Number: 217-015-5
• Exact Mass: 526.40200
• Shipping: Can be shipped at room temperature, where not in use may vary.
• Source: PlantsCelastraceaeMaytenus hookeriLoes.

Custom Q&A

What is the molecular formula of Betulin diacetate?

The molecular formula of Betulin diacetate is C34H54O4.

What is the molecular weight of Betulin diacetate?

The molecular weight of Betulin diacetate is 526.8 g/mol.

What is the IUPAC name of Betulin diacetate?

The IUPAC name of Betulin diacetate is [(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-acetyloxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]methyl acetate.

What is the InChI code of Betulin diacetate?

The InChI code of Betulin diacetate is InChI=1S/C34H54O4/c1-21(2)24-12-17-34(20-37-22(3)35)19-18-32(8)25(29(24)34)10-11-27-31(7)15-14-28(38-23(4)36)30(5,6)26(31)13-16-33(27,32)9/h24-29H,1,10-20H2,2-9H3/t24-,25+,26-,27+,28-,29+,31-,32+,33+,34+/m0/s1.

What is the CAS number of Betulin diacetate?

The CAS number of Betulin diacetate is 1721-69-3.

What is the European Community (EC) number of Betulin diacetate?

The European Community (EC) number of Betulin diacetate is 217-015-5.

What is the UNII of Betulin diacetate?

The UNII of Betulin diacetate is U2YW502S1Q.

What is the ChEMBL ID of Betulin diacetate?

The ChEMBL ID of Betulin diacetate is CHEMBL359080.

What is the DSSTox Substance ID of Betulin diacetate?

The DSSTox Substance ID of Betulin diacetate is DTXSID701244307.