Products 465-95-2

CAS 465-95-2 appears in our catalog under these names: Primulagenin A, Primulagenin A, ≥98%. Offered by: MedChemExpress, Chemat. Available pack sizes: 1 mg, 5 mg, 10 mg, 5mg.

Primulagenin A
MedChemExpress
  • size: 1 mg, 5 mg, 10 mg
  • Variants: 3
from 1847.57
View product
Primulagenin A, ≥98%
Chemat
  • size: 5mg
  • Variants: 1
from 3021.20
View product
Structural formula: {0} (CAS {1})

Primulagenin A is a pentacyclic triterpenoid that is oleanane containing a double bond between positions 12 and 13 and substituted by hydroxy groups at the 3beta, 16alpha and 28-positions. It derives from a hydride of an oleanane.

Source: ChEBI

Identity
Molecular formulaC30H50O3
Molecular weight458.7 g/mol
IUPAC name(3S,4aR,6aR,6bS,8R,8aS,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8-diol
InChIKeyYHGVYECWZWIVJC-TVZJSHMMSA-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(CC5)(C)C)CO)O)C)C)(C)C)O

Computed by PubChem (NCBI)

Synonyms: Primulagenin A, Genin A, GENIN A (PRIMULA), 3beta,16alpha,28-trihydroxy-12-oleanene, (3beta,16alpha)-olean-12-ene-3,16,28-triol, Olean-12-ene-3,16,28-triol, (3beta,16alpha)-, primulagenin, orb1943363
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

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