2-Butenoic acid, 2-methyl-, (1S,2R,7aS)-1-[[[(2E)-3-[4-[(6-deoxy-α-L-mannopyranosyl)oxy]phenyl]-1-oxo-2-propenyl]oxy]methyl]hexahydro-1H-pyrrolizin-2-yl ester, (2Z)-

CAS Registry Number®

70474-34-9

CAS Name

2-Butenoic acid, 2-methyl-, (1S,2R,7aS)-1-[[[(2E)-3-[4-[(6-deoxy-α-L-mannopyranosyl)oxy]phenyl]-1-oxo-2-propenyl]oxy]methyl]hexahydro-1H-pyrrolizin-2-yl ester, (2Z)-

Molecular Formula

C28H37NO9

Molecular Mass

531.60

Cite this Page

2-Butenoic acid, 2-methyl-, (1S,2R,7aS)-1-[[[(2E)-3-[4-[(6-deoxy-α-L-mannopyranosyl)oxy]phenyl]-1-oxo-2-propenyl]oxy]methyl]hexahydro-1H-pyrrolizin-2-yl ester, (2Z)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=70474-34-9 (retrieved 2025-03-12) (CAS RN: 70474-34-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H37NO9/c1-4-16(2)27(34)38-22-14-29-13-5-6-21(29)20(22)15-35-23(30)12-9-18-7-10-19(11-8-18)37-28-26(33)25(32)24(31)17(3)36-28/h4,7-12,17,20-22,24-26,28,31-33H,5-6,13-15H2,1-3H3

InChIKey

InChIKey=JGNHECWVLJXCSV-UHFFFAOYSA-N

SMILES

C(OC(C=CC1=CC=C(OC2C(O)C(O)C(O)C(C)O2)C=C1)=O)C3C4N(CC3OC(C(=CC)C)=O)CCC4

Canonical SMILES

O=C(OCC1C(OC(=O)C(=CC)C)CN2CCCC21)C=CC3=CC=C(OC4OC(C)C(O)C(O)C4O)C=C3

Other Names for this Substance

  • 2-Butenoic acid, 2-methyl-, (1S,2R,7aS)-1-[[[(2E)-3-[4-[(6-deoxy-α-L-mannopyranosyl)oxy]phenyl]-1-oxo-2-propenyl]oxy]methyl]hexahydro-1H-pyrrolizin-2-yl ester, (2Z)-
  • 2-Butenoic acid, 2-methyl-, 1-[[[3-[4-[(6-deoxy-α-L-mannopyranosyl)oxy]phenyl]-1-oxo-2-propenyl]oxy]methyl]hexahydro-1H-pyrrolizin-2-yl ester, [1S-[1α(E),2α(Z),7aβ]]-
  • Petasinoside

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