Betulin Diacetate

• CAS: 1721-69-3
• Catalog Number: ACM1721693
• Category: Inhibitors
• Molecular Weight: 526.79
• Molecular Formula: C34H54O4
• 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
• 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.

Where is Betulin diacetate found in nature?

Betulin diacetate is a natural product found in Trichosanthes dioica, Trichosanthes ovigera, and other organisms.

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 InChIKey of Betulin diacetate?

The InChIKey of Betulin diacetate is MIROITGPMGDCGI-MQXQNARFSA-N.

How many hydrogen bond donor counts does Betulin diacetate have?

Betulin diacetate has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does Betulin diacetate have?

Betulin diacetate has 4 hydrogen bond acceptor counts.

What is the topological polar surface area of Betulin diacetate?

The topological polar surface area of Betulin diacetate is 52.6 Ų.

How many rotatable bond counts does Betulin diacetate have?

Betulin diacetate has 6 rotatable bond counts.

What is the formal charge of Betulin diacetate?

The formal charge of Betulin diacetate is 0.