Allobetulon

• CAS: 28282-22-6
• Catalog Number: ACM28282226
• Category: Steroidal Compounds
• Molecular Weight: 440.7
• Molecular Formula: C₃₀H₄₈O₂

Custom Q&A

What is the molecular formula of allobetulon?

The molecular formula of allobetulon is C30H48O2.

What is the molecular weight of allobetulon?

The molecular weight of allobetulon is 440.7 g/mol.

When was allobetulon created in PubChem?

Allobetulon was created in PubChem on November 9, 2006.

When was allobetulon last modified in PubChem?

Allobetulon was last modified in PubChem on December 2, 2023.

What is the IUPAC name of allobetulon?

The IUPAC name of allobetulon is (1R,4R,5R,8R,13R,14R,17R,18R,19R)-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[17.3.2.0 1,18 .0 4,17 .0 5,14 .0 8,13 ]tetracosan-10-one.

What is the InChI of allobetulon?

The InChI of allobetulon is InChI=1S/C30H48O2/c1-25(2)14-16-30-17-15-28(6)19(23(30)24(25)32-18-30)8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-29(21,28)7/h19-21,23-24H,8-18H2,1-7H3/t19-,20+,21-,23+,24-,27+,28-,29-,30-/m1/s1.

What is the InChIKey of allobetulon?

The InChIKey of allobetulon is XGDVSJLOTVQNKY-CCJYTWKCSA-N.

What is the canonical SMILES of allobetulon?

The canonical SMILES of allobetulon is CC1(CCC23CCC4(C(C2C1OC3)CCC5C4(CCC6C5(CCC(=O)C6(C)C)C)C)C)C.

What is the CAS number of allobetulon?

The CAS number of allobetulon is 28282-22-6.

What is the ChEMBL ID of allobetulon?

The ChEMBL ID of allobetulon is CHEMBL3233721.