Macrocarpal I

cas: 179388-54-6 — see every product listed under this CAS number, including other names

Macrocarpal I (CAS 179388-54-6) is a chemical reagent available from Chemat. Available pack sizes: 1mg. Offered by: Biosynth.

brandBiosynth
catalog numberEHA38854-1mg
cas179388-54-6
size1mg
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properties

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

Macrocarpal I is a eudesmane sesquiterpenoid.

Source: ChEBI

Identity
Molecular formulaC28H42O7
Molecular weight490.6 g/mol
IUPAC name5-[(1R)-1-[(1S,4R,4aR,6R,8aS)-4-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
InChIKeyPXQFFMATXFLUPK-WFKARHRNSA-N
SMILESCC(C)C[C@H]([C@@H]1CC[C@@]([C@H]2[C@]1(CC[C@H](C2)C(C)(C)O)C)(C)O)C3=C(C(=C(C(=C3O)C=O)O)C=O)O

Computed by PubChem (NCBI)

Synonyms: orb1682175
Related forms of this compound
5-[1-[(1S,4R,4aR,6R,8aS)-4-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde C28H42O7
Isomers (same molecular formula)
[(3S,8S,9R,10R,12R,13S,14R,17S)-17-acetyl-3,8,14,17-tetrahydroxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (E)-3,4-dimethylpent-2-enoate C28H42O7
methyl (4R)-4-[(4S,5R,7S,10S,13R,14R,15S,17R)-7,15-dihydroxy-4-(hydroxymethyl)-4,10,13,14-tetramethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate C28H42O7
(2R)-5-(hydroxymethyl)-4-methyl-2-[(1S)-1-[(4S,5R,6S,8S,9S,10R,13S,14S,17R)-4,5,6-trihydroxy-10,13-dimethyl-1-oxo-3,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-2H-cyclopenta[a]phenanthren-17-yl]ethyl]-2,3-dihydropyran-6-one C28H42O7
[(3S,8R,9S,10R,11S,12S,13S,14S,17S)-17-acetyl-11-acetyloxy-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl] 3-methylbutanoate C28H42O7

Also listed as

Macrocarpal I, 96% MedChemExpress CAS 179388-54-6