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 Å².

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.

CAS 1721-69-3 Betulin Diacetate - Carboxyl / Alfa Chemistry

Name: Betulin Diacetate
SKU: ACM1721693
Rating: 5 (1 reviews)

Catalog Number	ACM1721693
CAS	1721-69-3
Structure
Description	Betulin diacetate, a triterpene and derivative of Betulin, is an anti-AID agent and also possesses anti-cancer activity.
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
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
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
InChIKey	MIROITGPMGDCGI-MQXQNARFSA-N
Boiling Point	548.1ºC at 760mmHg
Melting Point	221-223ºC
Flash Point	258ºC
Purity	95%
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).