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7-O-ANGELYLRETRONECINE
SpectraBase Compound ID 1NEfwdqnSaU
InChI InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-
InChIKey TYGYPIIOOQNWBU-OQFOIZHKSA-N
Mol Weight 237.3 g/mol
Molecular Formula C13H19NO3
Exact Mass 237.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FElphpsoxvt
Name 2-Butenoic acid, 2-methyl-, 2,3,5,7a-tetrahydro-7-(hydroxymethyl)-1H-pyrrolizin-1-yl ester, [1S-[1.alpha.(Z),7a.alpha.]]-
Alternate Name(s) (Z)-2-methylbut-2-enoic acid (7-methylol-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl) ester 2-Butenoic acid, 2-methyl-, 2,3,5,7a-tetrahydro-7-(hydroxymethyl)-1H-pyrrolizin-1-yl ester, (1S-(1-alpha(Z),7a-alpha))- 7-Angeloylheliotridine 7-Angelylheliotridine Heliotridine, 7-(2-methylcrotonate), (Z)- Heliotridine, 7-angelate (ester) Heliotridine, 7-angelyl- O-7-angelylheliotridine Rivularine (Z)-2-methyl-2-butenoic acid [7-(hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] ester
CAS Registry Number 723-78-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19NO3
InChI InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-
InChIKey TYGYPIIOOQNWBU-OQFOIZHKSA-N
Molecular Weight 237.299 g/mol
SMILES OCC1=CCN2CCC(OC(\C(=C/C)C)=O)C12
SPLASH splash10-0a5i-7900000000-aeb42204d23863715f0a
Source of Spectrum O-4-250-2
Wiley ID 32329