Methyl dihydrobetulinate

• CAS: 4550-88-3
• Catalog Number: ACM4550883
• Category: Steroidal Compounds
• Molecular Weight: 472.74
• Molecular Formula: C₃₁H₅₂O₃

Custom Q&A

What is the molecular formula of methyl dihydrobetulinate?

The molecular formula of methyl dihydrobetulinate is C31H49O3.

What is the PubChem CID of methyl dihydrobetulinate?

The PubChem CID of methyl dihydrobetulinate is 165431283.

What is the molecular weight of methyl dihydrobetulinate?

The molecular weight of methyl dihydrobetulinate is 469.7 g/mol.

When was methyl dihydrobetulinate created?

Methyl dihydrobetulinate was created on December 2, 2022.

What is the IUPAC name of methyl dihydrobetulinate?

The IUPAC name of methyl dihydrobetulinate is (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5,5a,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]chrysene-3a-carboxylate.

What is the InChI of methyl dihydrobetulinate?

The InChI of methyl dihydrobetulinate is InChI=1S/C31H50O3/c1-18(2)20-11-16-31(26(33)34)17-19(3)30(8)21(25(20)31)9-10-23-28(6)14-13-24(32)27(4,5)22(28)12-15-29(23,30)7/h19-25,32H,1,9-17H2,2-8H3,(H,33,34)/p-1/t19?,20-,21+,22-,23+,24-,25+,28-,29+,30+,31-/m0/s1.

What is the InChIKey of methyl dihydrobetulinate?

The InChIKey of methyl dihydrobetulinate is BZKZDGPLKONESD-GXLOPSAHSA-M.

What is the Canonical SMILES of methyl dihydrobetulinate?

The Canonical SMILES of methyl dihydrobetulinate is CC1CC2(CCC(C2C3C1(C4(CCC5C(C(CCC5(C4CC3)C)O)(C)C)C)C)C(=C)C)C(=O)[O-].

What is the XLogP3-AA value of methyl dihydrobetulinate?

The XLogP3-AA value of methyl dihydrobetulinate is 9.1.

Is methyl dihydrobetulinate a canonical compound?

Yes, methyl dihydrobetulinate is a canonical compound.