Products 93780-80-4

CAS 93780-80-4 appears in our catalog under these names: Isorosmanol, Isorosmanol, 98.08%, 98.08%, Isorosmanol, 99.40%. Offered by: TRC, GLPBio, Biosynth, Chemat, MedChemExpress. Available pack sizes: 10mg, 1mg, 0,5mg, 5mg, 25mg, 5 mg, 1 mg.

Isorosmanol
TRC, GLPBio, Biosynth
  • size: 10mg, 1mg, 0,5mg, 5mg
  • Variants: 7
from 1593.99
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Isorosmanol, 98.08%, 98.08%
Chemat
  • size: 1mg, 5mg
  • Variants: 2
from 19288.40
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Isorosmanol, 99.40%
MedChemExpress
  • size: 5 mg, 1 mg
  • Variants: 2
from 1174.19
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Structural formula: {0} (CAS {1})

Isorosmanol is a diterpene lactone.

Source: ChEBI

Identity
Molecular formulaC20H26O5
Molecular weight346.4 g/mol
IUPAC name(1R,8R,9R,10S)-3,4,9-trihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-15-one
InChIKeyUXVPWKDITRJELA-CLWJZODNSA-N
SMILESCC(C)C1=C(C(=C2C(=C1)[C@@H]3[C@@H]([C@@H]4[C@@]2(CCCC4(C)C)C(=O)O3)O)O)O

Computed by PubChem (NCBI)

Synonyms: isorosmanol, orb1684503, 6alpha,11,12-Trihydroxy-7beta-7,20-epoxyabieta-8,11,13-trien-20-one
Isomers (same molecular formula)
2-(3-hexyl-4,8-dimethyl-2-oxochromen-7-yl)oxypropanoic acid C20H26O5
[(8R,9S,13S,14S,15R,16R,17S)-3,15,16-trihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate C20H26O5
(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylic acid C20H26O5
methyl (1R,2R,5R,8R,9S,10R,11S,12S)-12-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylate C20H26O5
(1R,2S,3S,4R,8R,9R,12R)-8-formyl-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid C20H26O5
(1R,2R,5S,8S,9S,10S,11R)-5-hydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.15,8.01,10.02,8]octadecane-9-carboxylic acid C20H26O5
(8S,9S,10R,11S,13S,14S,17S)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylic acid C20H26O5
(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17-carboxylic acid C20H26O5
(1R,2R,5R,8R,9S,10R,11S,12S,13R)-12-hydroxy-11,13-dimethyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid C20H26O5