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.

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

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

Betulinic acid methyl ester has 1 hydrogen bond donor count.

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

Betulinic acid methyl ester has 10 defined atom stereocenter counts.

The topological polar surface area of betulinic acid methyl ester is 46.5 Å².

The complexity of betulinic acid methyl ester is 876.

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

Name: Betulinic Acid Methyl Ester
SKU: ACM2259065
Rating: 5 (1 reviews)

Catalog Number	ACM2259065
CAS	2259-06-5
Structure
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
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
Molecular Weight	470.7
Molecular Formula	C31H50O3
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
InChIKey	XNZIMRUZBOZIBC-JVRMVBBZSA-N
Boiling Point	523.5ºC at 760mmHg
Melting Point	222-223ºC
Flash Point	189.5ºC
Purity	98%
Density	1.036g/cm³
Appearance	Powder