Products 19942-02-0

CAS 19942-02-0 appears in our catalog under these names: Gymnestrogenin, Gymnestrogenin, ≥98%, ≥98%, Gymnestrogenin, 99.32%. Offered by: GLPBio, Biosynth, Chemat, MedChemExpress. Available pack sizes: 1mg, 5mg, 10mg, 20mg, 50mg, 100mg, 5 mg.

Gymnestrogenin
GLPBio, Biosynth
  • size: 1mg, 5mg, 10mg
  • Variants: 4
from 1088.49
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Gymnestrogenin, ≥98%, ≥98%
Chemat
  • size: 10mg, 20mg, 50mg, 100mg
  • Variants: 4
from 1250.00
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Gymnestrogenin, 99.32%
MedChemExpress
  • size: 5 mg
  • Variants: 1
from 2423.42
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Structural formula: {0} (CAS {1})

(3S,4aS,5S,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,5,10-triol (CAS 19942-02-0) is a chemical compound with the molecular formula C30H50O5 and a molecular weight of 490.7 g/mol. IUPAC name: (3S,4aS,5S,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,5,10-triol. InChIKey: SIBYGGBNBRCVQI-DGNDGBPUSA-N.

Identity
Molecular formulaC30H50O5
Molecular weight490.7 g/mol
IUPAC name(3S,4aS,5S,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,5,10-triol
InChIKeySIBYGGBNBRCVQI-DGNDGBPUSA-N
SMILESC[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@@H]([C@@]5([C@H]4CC([C@H](C5)O)(C)C)CO)O)C)C)(C)CO)O

Computed by PubChem (NCBI)

Synonyms: Gymnestrogenin, Olean-12-ene-3beta,16beta,21beta,23,28-pentol, orb1684554
Isomers (same molecular formula)
1-(3-dodecanoyl-2,4,6-trihydroxyphenyl)dodecan-1-one C30H50O5
(1R,2R,4aR,6aR,6aS,6bR,8aR,10R,11R,12aR,14bR)-9,9-bis(hydroxymethyl)-1,2,4a,6a,6b,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-1,10,11-triol C30H50O5
5-[2-[1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-(3-hydroxypropoxy)-4-methylidenecyclohexane-1,3-diol C30H50O5
(1R,2R,3R)-5-[(Z)-2-[(1R,3aR,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-2-(3-hydroxypropoxy)-4-methylcyclohex-4-ene-1,3-diol C30H50O5
(1R,2R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-(3-hydroxypropoxy)-4-methylidenecyclohexane-1,3-diol C30H50O5
(1R,2R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-(3-hydroxypropoxy)-4-methylidenecyclohexane-1,3-diol C30H50O5
(1R,2R,3R)-5-[(Z)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-2-(3-hydroxypropoxy)-4-methylcyclohex-4-ene-1,3-diol C30H50O5
(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-15-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-6,9,14-triol C30H50O5
(3S,5R,6S,8S,10S,13R,14S,16S,17R)-17-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6,16-triol C30H50O5
(5R,8S,9S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-17-[(2R,4S,5R)-4,5,6-trihydroxy-6-methylheptan-2-yl]-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one C30H50O5
(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-6,9,14-triol C30H50O5
3-[(1S,4R,5R,8S,9R,12R,13R)-5-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-12-(3-hydroxyprop-1-en-2-yl)-4,8-dimethyl-13-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]propanoic acid C30H50O5