Products 99530-82-2

CAS 99530-82-2 appears in our catalog under these names: Cucurbitacin Q1/ 99.04% (existing batch purity), Cucurbitacin Q1, Cucurbitacin Q1, Cucurbitacin Q1, 98.39%. Offered by: TargetMol, GLPBio, Biosynth, Chemat, MedChemExpress. Available pack sizes: 1mg, 5mg, 10mg, 25mg, 50mg, 100mg, 25 mg, 5 mg.

Cucurbitacin Q1/ 99.04% (existing batch purity)
TargetMol
  • size: 1mg, 5mg, 10mg, 25mg
  • Variants: 4
from 817.70
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Cucurbitacin Q1
GLPBio
  • size: 1mg, 10mg, 25mg, 5mg
  • Variants: 4
from 1025.31
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Cucurbitacin Q1
Biosynth, Chemat
  • size: 25mg, 50mg, 100mg, 5mg
  • Variants: 8
from 477.20
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Cucurbitacin Q1, 98.39%
MedChemExpress
  • size: 25 mg, 5 mg, 10 mg
  • Variants: 3
from 1271.71
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Structural formula: {0} (CAS {1})

[(E,6R)-6-hydroxy-2-methyl-5-oxo-6-[(2S,3S,8S,9R,10R,13R,14S,16R,17R)-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-3-en-2-yl] acetate (CAS 99530-82-2) is a chemical compound with the molecular formula C32H48O8 and a molecular weight of 560.7 g/mol. IUPAC name: [(E,6R)-6-hydroxy-2-methyl-5-oxo-6-[(2S,3S,8S,9R,10R,13R,14S,16R,17R)-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-3-en-2-yl] acetate. InChIKey: LMJMTWXDWFWZHV-OBTWUPKTSA-N.

Identity
Molecular formulaC32H48O8
Molecular weight560.7 g/mol
IUPAC name[(E,6R)-6-hydroxy-2-methyl-5-oxo-6-[(2S,3S,8S,9R,10R,13R,14S,16R,17R)-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-3-en-2-yl] acetate
InChIKeyLMJMTWXDWFWZHV-OBTWUPKTSA-N
SMILESCC(=O)OC(C)(C)/C=C/C(=O)[C@@](C)([C@H]1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C[C@@H]([C@H](C4(C)C)O)O)C)C)C)O)O

Computed by PubChem (NCBI)

Synonyms: orb1297166
Isomers (same molecular formula)
[(6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxoheptan-2-yl] acetate C32H48O8
[(1S,2S,6R,10S,11R,13S,14R,15R)-13-hexanoyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] hexanoate C32H48O8
[(E,6R)-6-[(3S,8S,9R,10R,13R,14S,16R,17R)-3,16-dihydroxy-9-(hydroxymethyl)-4,4,13,14-tetramethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate C32H48O8