Darutigenol

• Catalog Number: ACM5940001
• Product Name: Darutigenol
• CAS: 5940-00-1
• Category: Heterocyclic Organic Compound
• Synonyms: (1R)-1-[(2S,4aR,4bS,7R,8aS)-7-hydroxy-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]ethane-1,2-diol
• IUPAC Name: (1R)-1-[(2S,4aR,4bS,7R,8aS)-7-hydroxy-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]ethane-1,2-diol
• Molecular Weight: 322.49
• Molecular Formula: C20H34O3
• Canonical SMILES: C[C@@]1(CC[C@@H]2C(=C1)CC[C@H]3[C@]2(CC[C@H](C3(C)C)O)C)[C@H](CO)O
• InChI: InChI=1S/C20H34O3/c1-18(2)15-6-5-13-11-19(3,17(23)12-21)9-7-14(13)20(15,4)10-8-16(18)22/h11,14-17,21-23H,5-10,12H2,1-4H3/t14-,15-,16-,17+,19+,20+/m1/s1
• InChI Key: NCAZLDCEJHFJDT-KHKZNYETSA-N
• Appearance: Powder

Custom Q&A

What is the molecular formula of Darutigenol?

The molecular formula of Darutigenol is C20H34O3.

When was Darutigenol created and modified in PubChem?

Darutigenol was created on August 9, 2005, and modified on December 30, 2023.

In which natural products can Darutigenol be found?

Darutigenol can be found in Sigesbeckia orientalis, Indocypraea montana, and Palafoxia arida.

What is the IUPAC name of Darutigenol?

The IUPAC name of Darutigenol is (1R)-1-[(2S,4aR,4bS,7R,8aS)-7-hydroxy-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]ethane-1,2-diol.

What is the Canonical SMILES of Darutigenol?

The Canonical SMILES of Darutigenol is CC1(C2CCC3=CC(CCC3C2(CCC1O)C)(C)C(CO)O).

What is the InChIKey of Darutigenol?

The InChIKey of Darutigenol is NCAZLDCEJHFJDT-KHKZNYETSA-N.

How many hydrogen bond donor counts does Darutigenol have?

Darutigenol has 3 hydrogen bond donor counts.

What is the XLogP3-AA value of Darutigenol?

The XLogP3-AA value of Darutigenol is 3.2.

What is the topological polar surface area of Darutigenol?

The topological polar surface area of Darutigenol is 60.7 Ų.

How many defined atom stereocenter counts does Darutigenol have?

Darutigenol has 6 defined atom stereocenter counts.