Beta-Amyrin

• Catalog Number: ACM559706
• Product Name: Beta-Amyrin
• CAS: 559-70-6
• Category: Heterocyclic Organic Compound
• Synonyms: B-AMYRIN;BETA-AMYRIN;AMYRIN, B-;(3BETA)-OLEAN-12-EN-3-OL;12-OLEANEN-3-BETA-OL;12-OLEANIN-3-BETA-OL;OLEAN-12-EN-3BETA-OL;OLEAN-12-EN-3B-OL
• IUPAC Name: (3S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol
• Molecular Weight: 426.7
• Molecular Formula: C30H50O
• Canonical SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C)C
• InChI Key: JFSHUTJDVKUMTJ-QHPUVITPSA-N
• Melting Point: 187-190°C
• Appearance: White powder
• Hazard Statements: Xi
• Safety Description: 22-45

Custom Q&A

What is the PubChem CID of beta-amyrin?

PubChem CID: 73145

What is the molecular formula of beta-amyrin?

Molecular Formula: C30H50O

What is the molecular weight of beta-amyrin?

Molecular Weight: 426.7 g/mol

What is the IUPAC name of beta-amyrin?

IUPAC Name: (3S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol

What is the InChI of beta-amyrin?

InChI: InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-24,31H,10-19H2,1-8H3/t21-,22-,23+,24-,27+,28-,29+,30+/m0/s1

What is the InChIKey of beta-amyrin?

InChIKey: JFSHUTJDVKUMTJ-QHPUVITPSA-N

What is the Canonical SMILES of beta-amyrin?

Canonical SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C2C1)C)C)C)C

What is the CAS number of beta-amyrin?

CAS number: 559-70-6

What is the ChEMBL ID of beta-amyrin?

ChEMBL ID: CHEMBL455098

What is the molecular weight of beta-amyrin according to PubChem?

Molecular Weight: 426.7 g/mol