Ajugacumbin B

cas: 124961-66-6 — see every product listed under this CAS number, including other names

Ajugacumbin B (CAS 124961-66-6) is a chemical reagent available from Chemat. Available pack sizes: 1mg. Offered by: GLPBio.

brandGLPBio
catalog numberGC71887-1
cas124961-66-6
size1mg
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Available pack sizes

brand size price
GLPBio 1mg 2141.60 Pln

properties

purityNo data
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

Ajugacumbin A is a spiro-epoxide, an acetate ester, a diterpene lactone, a butenolide and an enoate ester. It has a role as a plant metabolite.

Source: ChEBI

Identity
Molecular formulaC27H38O7
Molecular weight474.6 g/mol
IUPAC name[(4R,4aR,5S,7R,8S,8aR)-5-acetyloxy-7,8-dimethyl-8-[2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl (E)-2-methylbut-2-enoate
InChIKeyTWZAPYCYRPQAOD-PIJHPVSDSA-N
SMILESC/C=C(\C)/C(=O)OC[C@@]12[C@H](CCC[C@]13CO3)[C@@]([C@@H](C[C@@H]2OC(=O)C)C)(C)CCC4=CC(=O)OC4

Computed by PubChem (NCBI)

Synonyms: Ajugacumbin A, orb2278589
Isomers (same molecular formula)
(4R)-4-[(5R,7S,10S,12S,13R,14R,17R)-7,12-dihydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid C27H38O7
(3S,5R,7S,10S,12S,13R,14R,17S)-3,7,12-trihydroxy-4,4,10,13,14-pentamethyl-17-[(2S)-2-methyl-5-oxooxolan-2-yl]-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthrene-11,15-dione C27H38O7

Also listed as

Ajugacumbin A Biosynth CAS 124961-66-6
Ajugacumbin B, 99%, 99% Chemat CAS 124961-66-6
Ajugacumbin B, 99.78% MedChemExpress CAS 124961-66-6