Betulinic Acid Methyl Ester

• CAS: 2259-06-5
• Catalog Number: ACM2259065
• Category: Steroidal Compounds
• Molecular Weight: 470.7
• Molecular Formula: C31H50O3
• Synonyms: BETULINIC ACID METHYL ESTER;3B-HYDROXY-LUP-20(29)-EN-28-OIC ACID METHYL ESTER;Lup-20(29)-en-28-oic acid, 3-hydroxy-, methyl ester, (3beta)-;Methylbetulinate;BETULINIC ACID METHYL ESTER hplc;BETULINIC ACID METHYLESTER WITH HPLC
• IUPAC Name: methyl (1~{R},3~{a}~{S},5~{a}~{R},5~{b}~{R},7~{a}~{R},9~{S},11~{a}~{R},11~{b}~{R},13~{a}~{R},13~{b}~{R})-9-hydroxy-5~{a},5~{b},8,8,11~{a}-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7~{a},9,10,11,11~{b},12,13,13~{a},13~{b}-hexadecahydrocyclopenta[a]chrysene-3~{a}-carboxylate
• Canonical SMILES: CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)OC
• InChI: InChI=1S/C31H50O3/c1-19(2)20-11-16-31(26(33)34-8)18-17-29(6)21(25(20)31)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h20-25,32H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,28-,29+,30+,31-/m0/s1
• InChI Key: XNZIMRUZBOZIBC-JVRMVBBZSA-N
• Boiling Point: 523.5ºC at 760mmHg
• Melting Point: 222-223ºC
• Flash Point: 189.5ºC
• Density: 1.036g/cm³
• Appearance: Powder
• EC Number: 218-857-6
• Exact Mass: 470.37600

Custom Q&A

What is the molecular formula of betulinic acid methyl ester according to the reference?

The molecular formula of betulinic acid methyl ester is C31H50O3.

When was betulinic acid methyl ester first created?

Betulinic acid methyl ester was first created on August 1, 2005.

What is the molecular weight of betulinic acid methyl ester?

The molecular weight of betulinic acid methyl ester is 470.7 g/mol.

What is the InChIKey of betulinic acid methyl ester?

The InChIKey of betulinic acid methyl ester is XNZIMRUZBOZIBC-JVRMVBBZSA-N.

How many hydrogen bond donor counts does betulinic acid methyl ester have?

Betulinic acid methyl ester has 1 hydrogen bond donor count.

What is the exact mass of betulinic acid methyl ester?

The exact mass of betulinic acid methyl ester is 470.37599545 g/mol.

How many defined atom stereocenter counts does betulinic acid methyl ester have?

Betulinic acid methyl ester has 10 defined atom stereocenter counts.

What is the topological polar surface area of betulinic acid methyl ester?

The topological polar surface area of betulinic acid methyl ester is 46.5 Ų.

What is the complexity of betulinic acid methyl ester?

The complexity of betulinic acid methyl ester is 876.

What is the CAS number of betulinic acid methyl ester?

The CAS number of betulinic acid methyl ester is 2259-06-5.