Products 29400-42-8

CAS 29400-42-8 appears in our catalog under these names: Helvolic acid, Helvolic Acid, Helvolic acid, 99.06%, Helvolic acid, ≥95%. Offered by: TargetMol, GLPBio, Biosynth, Chemat, MedChemExpress. Available pack sizes: 1mg, 5mg, 10mg, 50mg, 1 mg.

Structural formula: {0} (CAS {1})

Helvolic acid is a steroid C-21 acid having a 29-nordammarane skeleton substituted with an acetoxy group at C-16 and oxo groups at C-3 and -7, with double bonds at C-1, -17(20) and -24. It has a role as a mycotoxin, an antibacterial agent and a fungal metabolite. It is a 3-oxo-Delta(1) steroid, a monocarboxylic acid, an acetate ester and a steroid acid. It is a conjugate acid of a helvolate. It derives from a hydride of a dammarane.

Source: ChEBI

Identity
Molecular formulaC33H44O8
Molecular weight568.7 g/mol
IUPAC name(2Z)-2-[(4S,5S,6S,8S,9S,10R,13R,14S,16S)-6,16-diacetyloxy-4,8,10,14-tetramethyl-3,7-dioxo-5,6,9,11,12,13,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid
InChIKeyMDFZYGLOIJNNRM-OAJDADRGSA-N
SMILESC[C@H]1[C@@H]2[C@@H](C(=O)[C@]3([C@H]([C@]2(C=CC1=O)C)CC[C@@H]\4[C@@]3(C[C@@H](/C4=C(/CCC=C(C)C)\C(=O)O)OC(=O)C)C)C)OC(=O)C

Computed by PubChem (NCBI)