Products 19942-04-2

CAS 19942-04-2 appears in our catalog under these names: 3-Epicabraleadiol, ≥95%, ≥95%, 3-Epicabraleadiol. Offered by: Chemat, MedChemExpress. Available pack sizes: 5mg, Get quote.

3-Epicabraleadiol, ≥95%, ≥95%
Chemat
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  • Variants: 1
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3-Epicabraleadiol
MedChemExpress
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  • Variants: 1
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Structural formula: {0} (CAS {1})

(3S,5R,8R,9R,10R,13R,14R,17S)-17-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (CAS 19942-04-2) is a chemical compound with the molecular formula C30H52O3 and a molecular weight of 460.7 g/mol. IUPAC name: (3S,5R,8R,9R,10R,13R,14R,17S)-17-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol. InChIKey: RQBNSDSKUAGBOI-VVGBCXFDSA-N.

Identity
Molecular formulaC30H52O3
Molecular weight460.7 g/mol
IUPAC name(3S,5R,8R,9R,10R,13R,14R,17S)-17-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
InChIKeyRQBNSDSKUAGBOI-VVGBCXFDSA-N
SMILESC[C@@]12CC[C@@H]([C@H]1CC[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)[C@@]5(CC[C@H](O5)C(C)(C)O)C

Computed by PubChem (NCBI)

Synonyms: 3-Epicabraleadiol, Ocotillol II, (20S,24S)-20,24-Epoxydammarane-3beta,25-diol, (20S,24S)-20,24-Epoxydammarane-3|?,25-diol, (20S,24S)-20,24-Epoxydammarane-3|A,25-diol
Related forms of this compound
(3R,5R,8R,9R,10R,13R,14R,17S)-17-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol C30H52O3
Isomers (same molecular formula)
(3S,5R,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2R)-2,6,6-trimethyloxan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol C30H52O3
11-methyldodecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate C30H52O3
(3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol C30H52O3
(3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol C30H52O3
(3R,3aR,5aR,5bR,7aS,8S,9S,11aS,11bS,13aS,13bR)-11b-(hydroxymethyl)-3a,5a,7a,8,13a-pentamethyl-3-propan-2-yl-2,3,4,5,5b,6,7,9,10,11,11a,12,13,13b-tetradecahydro-1H-cyclopenta[a]chrysene-8,9-diol C30H52O3
6-(3-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylhept-6-ene-2,3-diol C30H52O3
(3R,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol C30H52O3
(3S,6R)-6-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylheptane-2,3-diol C30H52O3
(3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(E)-6-hydroxy-6-methylhept-2-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol C30H52O3
(3R,6R)-6-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylheptane-2,3-diol C30H52O3
(E,6S)-6-[(3S,5R,8R,9R,10R,13R,14R,17S)-3-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-3-ene-2,6-diol C30H52O3