Betulinic Acid Methyl Ester

• Catalog Number: ACM2259065
• Product Name: Betulinic Acid Methyl Ester
• CAS: 2259-06-5
• Category: Steroidal Compounds
• 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
• 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
• 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 PubChem CID of betulinic acid methyl ester?

The PubChem CID of betulinic acid methyl ester is 73493.

What is the molecular formula of betulinic acid methyl ester?

The molecular formula of betulinic acid methyl ester is C31H50O3.

What is the molecular weight of betulinic acid methyl ester?

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

What are the synonyms of betulinic acid methyl ester?

The synonyms of betulinic acid methyl ester are METHYL BETULINATE, 2259-06-5, betulinic acid methylester, and CHEMBL295602.

Is betulinic acid methyl ester classified as a triterpenoid?

Yes, betulinic acid methyl ester is classified as a triterpenoid.

Where is methyl betulinate found naturally?

Methyl betulinate is found naturally in Ixeridium gracile, Euptelea polyandra, and other organisms.

What is the IUPAC Name of betulinic acid methyl ester?

The IUPAC Name of betulinic acid methyl ester is methyl (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-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]chrysene-3a-carboxylate.

What is the InChI of betulinic acid methyl ester?

The InChI of betulinic acid methyl ester is 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.

What is the InChIKey of betulinic acid methyl ester?

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

What is the canonical SMILES of betulinic acid methyl ester?

The canonical SMILES of betulinic acid methyl ester is CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)OC.