Lupeol

• Catalog Number: ACM545471
• Product Name: Lupeol
• CAS: 545-47-1
• Category: Steroidal Compounds
• Synonyms: Fagarsterol; Lupenol; B-VISCOL; Cautchicol; monogynolb; Lupeol; MONOGYNOL; Clerodol
• IUPAC Name: (1R,3aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-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-9-ol
• Molecular Weight: 426.7
• Molecular Formula: C30H50O
• Canonical SMILES: CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C
• InChI: InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29?,30+/m0/s1
• InChI Key: MQYXUWHLBZFQQO-JGGBMTAGSA-N
• Boiling Point: 488.1ºC at 760 mmHg
• Melting Point: 215-216ºC
• Flash Point: 216.9ºC
• Density: 0.977 g/cm³
• Appearance: White powder
• Exact Mass: 426.38600
• WGK Germany: 2

Custom Q&A

What is the PubChem CID of Lupeol?

The PubChem CID of Lupeol is 259846.

What is the molecular formula of Lupeol?

The molecular formula of Lupeol is C30H50O.

What is the molecular weight of Lupeol?

The molecular weight of Lupeol is 426.7 g/mol.

What is the IUPAC Name of Lupeol?

The IUPAC Name of Lupeol is (1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-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-9-ol.

What is the InChI of Lupeol?

The InChI of Lupeol is InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1.

What is the Canonical SMILES of Lupeol?

The Canonical SMILES of Lupeol is CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C.

What is the CAS number of Lupeol?

The CAS number of Lupeol is 545-47-1.

What is the European Community (EC) number of Lupeol?

The European Community (EC) number of Lupeol is 208-889-9.

What is the UNII of Lupeol?

The UNII of Lupeol is O268W13H3O.

Does Lupeol have any synonyms?

Yes, Lupeol has synonyms such as Fagarasterol, Clerodol, and Monogynol B.