Products 22571-95-5

CAS 22571-95-5 is the registry number for Symphytine. Offered by: Chemat Brand, Biosynth, MedChemExpress. Available pack sizes: on request, 25mg, 10mg, 50mg, Get quote.

Symphytine
Chemat Brand, Biosynth, MedChemExpress
  • size: on request, 25mg, 10mg, 50mg
  • Variants: 5
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Structural formula: {0} (CAS {1})

Symphytine is a but-2-enoate ester obtained by formal condensation of the carboxy group of (2E)-2-methylbut-2-enoic acid with the 1-hydroxy group of (1R,7aR)-7-({[(2S,3S)-2,3-dihydroxy-2-isopropylbutanoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-ol. It is a member of pyrrolizines and a but-2-enoate ester.

Source: ChEBI

Identity
Molecular formulaC20H31NO6
Molecular weight381.5 g/mol
IUPAC name[(7R,8R)-7-[(E)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate
InChIKeyMVWPTZQHBOWRTF-SMLWLWDZSA-N
SMILESC/C=C(\C)/C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@H](C)O)(C(C)C)O

Computed by PubChem (NCBI)

Synonyms: SYMPHYTINE, 7-Tiglylretronecine viridiflorate, 7-Tiglyl-9-viridiflorylretronecine, 7-Tiglyl-9-(-)-viridiflorylretronecine, SYMPHYTINE [IARC], orb1985278, MVWPTZQHBOWRTF-SMLWLWDZSA-N, myoscorpine (7-tigloylintermedine)
Isomers (same molecular formula)
butanedioic acid;4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol C20H31NO6
(2S)-2-[(2,4-dimethoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dimethylbutanoic acid C20H31NO6