Acetyl dihydrobetulinic acid

• Catalog Number: ACM25488544
• Product Name: Acetyl dihydrobetulinic acid
• CAS: 25488-54-4
• Category: Steroidal Compounds
• IUPAC Name: (1R,3aS,5aS,5bR,7aR,9S,11aR,11bR,13aR,13bR)-5-acetyl-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-carboxylicacid
• Molecular Weight: 500.75
• Molecular Formula: C₃₂H₅₂O₄
• Canonical SMILES: CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(C(C2)C(=O)C)C)C)(C)C)O)C)C(=O)O
• InChI Key: NBMJCMMFPZWBMR-BHJXUBRQSA-N

Custom Q&A

What is the molecular formula of Acetyl dihydrobetulinic acid?

The molecular formula of Acetyl dihydrobetulinic acid is C32H50O4.

What is the PubChem CID of Acetyl dihydrobetulinic acid?

The PubChem CID of Acetyl dihydrobetulinic acid is 90470595.

What is the molecular weight of Acetyl dihydrobetulinic acid?

The molecular weight of Acetyl dihydrobetulinic acid is 498.7 g/mol.

What is the IUPAC name of Acetyl dihydrobetulinic acid?

The IUPAC name of Acetyl dihydrobetulinic acid is (1R,3aS,5aS,5bR,7aR,9S,11aR,11bR,13aR,13bR)-5-acetyl-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-carboxylic acid.

What is the InChI of Acetyl dihydrobetulinic acid?

The InChI of Acetyl dihydrobetulinic acid is InChI=1S/C32H50O4/c1-18(2)20-11-16-32(27(35)36)17-22(19(3)33)31(8)21(26(20)32)9-10-24-29(6)14-13-25(34)28(4,5)23(29)12-15-30(24,31)7/h20-26,34H,1,9-17H2,2-8H3,(H,35,36)/t20-,21+,22?,23-,24+,25-,26+,29-,30+,31-,32-/m0/s1.

What is the InChIKey of Acetyl dihydrobetulinic acid?

The InChIKey of Acetyl dihydrobetulinic acid is NBMJCMMFPZWBMR-BHJXUBRQSA-N.

What is the Canonical SMILES of Acetyl dihydrobetulinic acid?

The Canonical SMILES of Acetyl dihydrobetulinic acid is CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(C(C2)C(=O)C)C)C)(C)C)O)C)C(=O)O.

What is the Isomeric SMILES of Acetyl dihydrobetulinic acid?

The Isomeric SMILES of Acetyl dihydrobetulinic acid is CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(C(C2)C(=O)C)C)C)(C)C)O)C)C(=O)O.

What is the XLogP3-AA value of Acetyl dihydrobetulinic acid?

The XLogP3-AA value of Acetyl dihydrobetulinic acid is 7.4.

What is the hydrogen bond acceptor count of Acetyl dihydrobetulinic acid?

The hydrogen bond acceptor count of Acetyl dihydrobetulinic acid is 4.