Products 19865-87-3

CAS 19865-87-3 is the registry number for Cabralealactone. Offered by: GLPBio, TargetMol, Biosynth, MedChemExpress. Available pack sizes: 5mg, 10mg, 25mg, 50mg, Get quote.

Cabralealactone
GLPBio, TargetMol, Biosynth
  • size: 5mg, 10mg, 25mg, 50mg
  • Variants: 7
from 2422.43
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Structural formula: {0} (CAS {1})

Cabralealactone is a tetracyclic triterpenoid, a cyclic terpene ketone and a gamma-lactone. It has a role as a plant metabolite.

Source: ChEBI

Identity
Molecular formulaC27H42O3
Molecular weight414.6 g/mol
IUPAC name(5S)-5-methyl-5-[(5R,8R,9R,10R,13R,14R,17S)-4,4,8,10,14-pentamethyl-3-oxo-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]oxolan-2-one
InChIKeyNOLGXQBEFHYZHI-QPBHWVAKSA-N
SMILESC[C@@]12CC[C@@H]([C@H]1CC[C@H]3[C@]2(CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)[C@@]5(CCC(=O)O5)C

Computed by PubChem (NCBI)

Synonyms: Cabralealactone, cabralelactone, orb1683025, (20S)-23,24-epoxy-25,26,27-trinordammarane-3,24-dione, (5alpha)-4,4,8,14-tetramethyl-20,24-epoxy-18-norcholane-3,24-dione, 4,4,8,14-Tetramethyl-5alpha-20,24-epoxy-18-norcholane-3,24-dione
Isomers (same molecular formula)
(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-ol C27H42O3
(1S,2S,4S,5'S,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-ol C27H42O3
[(1S,4S,5S)-4-[2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl]-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol C27H42O3
trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,7aR)-1-[(2R)-5-cyclopropyl-5-hydroxypentan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol C27H42O3
[(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] nonanoate C27H42O3
[(1R,4R,5R)-4-[2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl]-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol C27H42O3
(3Z,5R)-3-[[(1R,2'R,3aR,4R,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]spiro[2,3,3a,5,6,7-hexahydro-1H-indene-4,3'-oxirane]-2'-yl]methylidene]-5-hydroxy-2-methylidenecyclohexan-1-one C27H42O3
trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-5-cyclopropyl-5-hydroxypentan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol C27H42O3
[(5S,8R,9S,10S,13S,14S,17S)-1,10,13-trimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate C27H42O3
[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] octanoate C27H42O3
(2S,6R)-6-[(5S,9R,10S,13R,14R,17R)-10,13-dimethyl-3-oxo-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid C27H42O3
(6R)-6-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid C27H42O3