(1R,7aR)-2,3,5,7a-Tetrahydro-7-[[(2S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methyl-1-oxobutoxy]methyl]-4-oxido-1H-pyrrolizin-1-yl (2E)-2-methyl-2-butenoate

CAS Registry Number®

72698-57-8

CAS Name

(1R,7aR)-2,3,5,7a-Tetrahydro-7-[[(2S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methyl-1-oxobutoxy]methyl]-4-oxido-1H-pyrrolizin-1-yl (2E)-2-methyl-2-butenoate

Molecular Formula

C20H31NO7

Molecular Mass

397.46

Cite this Page

(1R,7aR)-2,3,5,7a-Tetrahydro-7-[[(2S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methyl-1-oxobutoxy]methyl]-4-oxido-1H-pyrrolizin-1-yl (2E)-2-methyl-2-butenoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=72698-57-8 (retrieved 2024-11-25) (CAS RN: 72698-57-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H31NO7/c1-6-13(4)18(23)28-16-8-10-21(26)9-7-15(17(16)21)11-27-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6+/t14-,16+,17+,20-,21?/m0/s1

InChIKey

InChIKey=MTHHNSCIBYQVSB-FMYLHMKPSA-N

SMILES

O=N12[C@](C(COC([C@](C(C)C)([C@H](C)O)O)=O)=CC1)([C@H](OC(/C(=C/C)/C)=O)CC2)[H]

Canonical SMILES

O=C(OC1CCN2(=O)CC=C(COC(=O)C(O)(C(O)C)C(C)C)C12)C(=CC)C

Other Names for this Substance

  • 2-Butenoic acid, 2-methyl-, (1R,7aR)-2,3,5,7a-tetrahydro-7-[[(2S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methyl-1-oxobutoxy]methyl]-4-oxido-1H-pyrrolizin-1-yl ester, (2E)-
  • 2-Butenoic acid, 2-methyl-, 7-[[2,3-dihydroxy-2-(1-methylethyl)-1-oxobutoxy]methyl]-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl ester, N-oxide, [1R-[1α(E),7(2S*,3S*),7aβ]]-
  • 2-Butenoic acid, 2-methyl-, (1R,7aR)-7-[[(2S,3S)-2,3-dihydroxy-2-(1-methylethyl)-1-oxobutoxy]methyl]-2,3,5,7a-tetrahydro-4-oxido-1H-pyrrolizin-1-yl ester, (2E)-
  • (1R,7aR)-2,3,5,7a-Tetrahydro-7-[[(2S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methyl-1-oxobutoxy]methyl]-4-oxido-1H-pyrrolizin-1-yl (2E)-2-methyl-2-butenoate
  • Symphytine N-oxide

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