Allobetulin

• CAS: 1617-72-7
• Catalog Number: ACM1617727
• Category: Steroidal Compounds
• Molecular Weight: 442.72
• Molecular Formula: C₃₀H₅₀O₂
• Synonyms: ALLOBETULIN;(18α)-19β,28-Epoxyoleanan-3β-ol
• IUPAC Name: allobetulinol
• Canonical SMILES: CC1(CCC23CCC4(C(C2C1OC3)CCC5C4(CCC6C5(CCC(C6(C)C)O)C)C)C)C
• InChI Key: BZNIIOGSANMIET-HWNNWUPFSA-N
• Boiling Point: 513.7ºC at 760 mmHg
• Flash Point: 203.5ºC
• Density: 1.06 g/cm³
• Exact Mass: 442.38100

Custom Q&A

What is the PubChem CID for allobetulin?

PubChem CID for allobetulin is 11080733.

What is the molecular formula of allobetulin?

The molecular formula of allobetulin is C30H50O2.

What is the molecular weight of allobetulin?

The molecular weight of allobetulin is 442.7 g/mol.

When was allobetulin created?

Allobetulin was created on October 26, 2006.

When was allobetulin last modified?

Allobetulin was last modified on November 25, 2023.

What is the IUPAC name of allobetulin?

The IUPAC name of allobetulin is (1R,4R,5R,8R,10S,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-ol.

What is the InChI of allobetulin?

The InChI of allobetulin is InChI=1S/C30H50O2/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/h19-24,31H,8-18H2,1-7H3/t19-,20+,21-,22+,23-,24-,27+,28-,29-,30-/m1/s1.

What is the InChIKey of allobetulin?

The InChIKey of allobetulin is BZNIIOGSANMIET-HWNNWUPFSA-N.

What is the canonical SMILES of allobetulin?

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

What is the CAS number of allobetulin?

The CAS number of allobetulin is 1617-72-7.