(1S,2R,7aS)-Hexahydro-1-(hydroxymethyl)-1H-pyrrolizin-2-yl (2Z)-2-methyl-2-butenoate

CAS Registry Number®

70474-33-8
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CAS Name

(1S,2R,7aS)-Hexahydro-1-(hydroxymethyl)-1H-pyrrolizin-2-yl (2Z)-2-methyl-2-butenoate

Molecular Formula

C13H21NO3

Molecular Mass

239.31

Cite this Page

(1S,2R,7aS)-Hexahydro-1-(hydroxymethyl)-1H-pyrrolizin-2-yl (2Z)-2-methyl-2-butenoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=70474-33-8 (retrieved 2024-08-18) (CAS RN: 70474-33-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H21NO3/c1-3-9(2)13(16)17-12-7-14-6-4-5-11(14)10(12)8-15/h3,10-12,15H,4-8H2,1-2H3/b9-3-/t10-,11+,12+/m1/s1

InChIKey

InChIKey=HQARVRYBUBTANR-JTPMTOLCSA-N

SMILES

C(O)[C@@H]1[C@]2(N(C[C@@H]1OC(/C(=C\C)/C)=O)CCC2)[H]

Canonical SMILES

O=C(OC1CN2CCCC2C1CO)C(=CC)C

Other Names for this Substance

  • 2-Butenoic acid, 2-methyl-, (1S,2R,7aS)-hexahydro-1-(hydroxymethyl)-1H-pyrrolizin-2-yl ester, (2Z)-
  • 2-Butenoic acid, 2-methyl-, hexahydro-1-(hydroxymethyl)-1H-pyrrolizin-2-yl ester, [1S-[1α,2α(Z),7aβ]]-
  • (1S,2R,7aS)-Hexahydro-1-(hydroxymethyl)-1H-pyrrolizin-2-yl (2Z)-2-methyl-2-butenoate
  • Petasinine
  • Petasinecine angelate

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