(3S,10R,13S)-17-((R)-2-Hydroxy-1-methyl-4-trimethylsilanyl-but-3-ynyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

ID: ALA58036

Chembl Id: CHEMBL58036

PubChem CID: 44301361

Max Phase: Preclinical

Molecular Formula: C27H44O2Si

Molecular Weight: 428.73

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CC(C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C)[C@@H](O)C#C[Si](C)(C)C

Standard InChI:  InChI=1S/C27H44O2Si/c1-18(25(29)13-16-30(4,5)6)22-9-10-23-21-8-7-19-17-20(28)11-14-26(19,2)24(21)12-15-27(22,23)3/h7,18,20-25,28-29H,8-12,14-15,17H2,1-6H3/t18?,20-,21?,22?,23?,24?,25-,26-,27+/m0/s1

Standard InChI Key:  HMFSWDGYRMKNIS-QDHOZKRDSA-N

Alternative Forms

1. Parent:

   

   ALA58036

   (3S,10R,13S)-17-[(3R)-3-hydroxy-5-trimethylsilylpent-4-yn-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 428.73

Molecular Weight (Monoisotopic): 428.3111

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References

1. Mauvais A, Hetru C, Luu B.  (1993)  Synthesis of ecdysteroid inhibitors of ecdysone biosynthesis. Inhibition of the C-25 hydroxylation.,  3  (10): [10.1016/S0960-894X(01)80993-8]

Source

Source(1):

• Scientific Literature