Acetyl dihydrobetulinic acid

CAS

25488-54-4

Catalog Number

ACM25488544

Category

Steroidal Compounds

Molecular Weight

500.75

Molecular Formula

C₃₂H₅₂O₄

MSDS COA Spec Sheet

If you have any other questions or need other size, please get a quote.

Specification

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

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

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.