Deloxolone

• Catalog Number: ACM68635507
• Product Name: Deloxolone
• CAS: 68635-50-7
• Category: Heterocyclic Organic Compound
• Synonyms: Deloxolone;3beta-Hydroxyolean-9(11)-en-30-oic acid, hydrogen succinate.;(20S)-3β-(3-Carboxy-1-oxopropoxy)olean-9(11)-en-30-oic acid;(2S,4aS,6aR,6bS,8aR,10S,12aS,14aR,14bS)-10-(4-hydroxy-4-keto-butanoyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14,14a,14b-tetradecahydropicene-2-carboxylic acid;(2S,4aS,6aR,6bS,8aR,10S,12aS,14aR,14bS)-10-(4-hydroxy-4-oxo-butanoyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14,14a,14b-tetradecahydropicene-2-carboxylic acid;(2S,4aS,6aR,6bS,8aR,10S,12aS,14aR,14bS)-10-(4-hydroxy-4-oxobutanoyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14,14a,14b-tetradecahydropicene-2-carboxylic acid
• Molecular Weight: 556.779
• Molecular Formula: C₃₄H₅₂O₆

Custom Q&A

What is the molecular formula of Deloxolone?

The molecular formula of Deloxolone is C34H52O6.

When was Deloxolone created and last modified?

Deloxolone was created on 2005-08-09 and last modified on 2023-12-30.

What is the IUPAC name of Deloxolone?

The IUPAC name of Deloxolone is (2S,4aS,6aR,6bS,8aR,10S,12aS,14aR,14bS)-10-(3-carboxypropanoyloxy)-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14,14a,14b-tetradecahydropicene-2-carboxylic acid.

What is the InChIKey of Deloxolone?

The InChIKey of Deloxolone is VRFVGZRKFFTPCG-KYHPDETOSA-N.

What is the canonical SMILES of Deloxolone?

The canonical SMILES of Deloxolone is CC1(C2CCC3(C(=CCC4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C2(CCC1OC(=O)CCC(=O)O)C)C)C.

What is the molecular weight of Deloxolone?

The molecular weight of Deloxolone is 556.8 g/mol.

How many hydrogen bond donor counts are there in Deloxolone?

There are 2 hydrogen bond donor counts in Deloxolone.

What is the topological polar surface area of Deloxolone?

The topological polar surface area of Deloxolone is 101Ų.

How many defined atom stereocenter counts are there in Deloxolone?

There are 9 defined atom stereocenter counts in Deloxolone.

What is the complexity value of Deloxolone?

The complexity value of Deloxolone is 1120.