Products 2234301-72-3

CAS 2234301-72-3 appears in our catalog under these names: Erinacine U, Erinacine U, 99.54%. Offered by: GLPBio, MedChemExpress. Available pack sizes: 1mg, 1 mg.

Erinacine U
GLPBio
  • size: 1mg
  • Variants: 1
from 9850.39
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Erinacine U, 99.54%
MedChemExpress
  • size: 1 mg
  • Variants: 1
from 11632.48
View product
Structural formula: {0} (CAS {1})

Erinacine U is a diterpenoid.

Source: ChEBI

Identity
Molecular formulaC26H40O7
Molecular weight464.6 g/mol
IUPAC name(3aR,5aR,6S,9R,10aR)-9-methoxy-3a,5a-dimethyl-1-propan-2-yl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,4,5,6,9,10,10a-octahydrocyclohepta[e]indene-8-carbaldehyde
InChIKeyWUQTXLXCAOVKPK-SIZUUNDKSA-N
SMILESCC(C)C1=C2[C@H]3C[C@H](C(=C[C@@H]([C@@]3(CC[C@]2(CC1)C)C)O[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)C=O)OC

Computed by PubChem (NCBI)

Synonyms: Erinacine U, orb1942322
Isomers (same molecular formula)
(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-diformyloxy-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid C26H40O7
[(1R,2S,3R,6S,8Z,10S,12R,14R,15R)-1,2-dihydroxy-3,7,7,10,14-pentamethyl-11-oxo-16,17-dioxatricyclo[10.3.1.13,6]heptadec-8-en-15-yl] (E)-3-methylpent-2-enoate C26H40O7
(3R,4S,7S,9S,11S)-3,4,11-trihydroxy-7-[(Z,4R)-4-(hydroxymethyl)hex-2-en-2-yl]-9-methoxy-12,12-dimethyl-6-oxabicyclo[11.3.1]heptadeca-1(17),13,15-trien-5-one C26H40O7