Products 51116-90-6

CAS 51116-90-6 is the registry number for (20S)-Protopanaxadiol-3-one. Offered by: MedChemExpress. Available pack sizes: Get quote.

(20S)-Protopanaxadiol-3-one
MedChemExpress
  • size: Get quote
  • Variants: 1
View product
Structural formula: {0} (CAS {1})

(5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one (CAS 51116-90-6) is a chemical compound with the molecular formula C30H50O3 and a molecular weight of 458.7 g/mol. IUPAC name: (5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one. InChIKey: DGWVBOLRGRYBRU-DLRFIJRSSA-N.

Identity
Molecular formulaC30H50O3
Molecular weight458.7 g/mol
IUPAC name(5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
InChIKeyDGWVBOLRGRYBRU-DLRFIJRSSA-N
SMILESCC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)O)C)O)C

Computed by PubChem (NCBI)

Synonyms: (20S)-Protopanaxadiol-3-one, orb1941199
Isomers (same molecular formula)
3-[(3S,6R,9aS,9bS)-3-(2-hydroxy-6-methylhept-5-en-2-yl)-6,9a,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid C30H50O3
[(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] undecanoate C30H50O3
(5R,8R,9R,10R,13R,14R,17S)-17-[(5R)-5,6-dihydroxy-6-methylhept-1-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one C30H50O3
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethyl carbonate C30H50O3
(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol C30H50O3
(1R,3S,3aS,5aS,5bS,6S,7aR,9S,11aS,13aR,13bS)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysene-1,6,9-triol C30H50O3
(1S,3R,8R,11S,12S,15R,16R)-15-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one C30H50O3
(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(3R,6R)-6-(2-hydroxypropan-2-yl)oxan-3-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol C30H50O3
(3S,6R,7S,8S,11R,12S,15S,16R,19R,21R)-7-(hydroxymethyl)-3,7,11,16,20,20-hexamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-ene-8,19-diol C30H50O3
(3S,6R,7S,8S,11R,12S,15S,16R,19S,21R)-7-(hydroxymethyl)-3,7,11,16,20,20-hexamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-ene-8,19-diol C30H50O3
(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-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one C30H50O3
(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2Z)-6-methylhepta-2,5-dien-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol C30H50O3

Related products in this category

Balofloxacin (Standard) MedChemExpress CAS 127294-70-6
Lafutidine, 99.56% MedChemExpress CAS 118288-08-7
Lafutidine (Standard) MedChemExpress CAS 118288-08-7
Duloxetine, 99.92% MedChemExpress CAS 116539-59-4
Duloxetine (hydrochloride), 99.97% MedChemExpress CAS 136434-34-9
Duloxetine (hydrochloride) (Standard) MedChemExpress CAS 136434-34-9
(R)-Duloxetine MedChemExpress CAS 116539-60-7
(R)-Duloxetine (hydrochloride) MedChemExpress CAS 910138-96-4
(±)-Duloxetine (hydrochloride) MedChemExpress CAS 947316-47-4