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2-Butenoic acid, 2-methyl-, 7-[[2,3-dihydroxy-2-(1-hydroxyethyl)-3-methyl-1-oxobutoxy]methyl]-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl ester
SpectraBase Compound ID EAqZ9WWwBFR
InChI InChI=1S/C20H31NO7/c1-6-12(2)17(23)28-15-8-10-21-9-7-14(16(15)21)11-27-18(24)20(26,13(3)22)19(4,5)25/h6-7,13,15-16,22,25-26H,8-11H2,1-5H3/b12-6+
InChIKey HRSGCYGUWHGOPY-WUXMJOGZSA-N
Mol Weight 397.47 g/mol
Molecular Formula C20H31NO7
Exact Mass 397.210052 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IQXOtAkFiXb
Name 2-Butenoic acid, 2-methyl-, 7-[[2,3-dihydroxy-2-(1-hydroxyethyl)-3-methyl-1-oxobutoxy]methyl]-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl ester
CAS Registry Number 32728-78-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H31NO7
InChI InChI=1S/C20H31NO7/c1-6-12(2)17(23)28-15-8-10-21-9-7-14(16(15)21)11-27-18(24)20(26,13(3)22)19(4,5)25/h6-7,13,15-16,22,25-26H,8-11H2,1-5H3/b12-6+
InChIKey HRSGCYGUWHGOPY-WUXMJOGZSA-N
Molecular Weight 397.468 g/mol
SMILES OC(C(C(OCC=1C2N(CCC2OC(\C(=C\C)C)=O)CC1)=O)(C(C)O)O)(C)C
SPLASH splash10-00di-9840000000-5de2f18b13c714d70f4b
Source of Spectrum O4-0-249-0
Synonyms 2-Butenoic acid, 2-methyl-, 7-((2,3-dihydroxy-2-(1-hydroxyethyl)-3-methyl-1-oxobutoxy)methyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl ester, (1R-(1alpha(Z),7(2R*,3S*),7abeta))- Echimidine 7-Angelyl-9-echimidinylheliotridine 7-Angelyl-9-echimidinylretronecine Cynoglossofin Cynoglossofine Cynoglossophine Heliosupin Heliosupine [7-[(E)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2,3-dihydroxy-2-(1-hydroxyethyl)-3-methyl-butanoate [7-[(E)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2-(1-hydroxyethyl)-3-methyl-2,3-bis(oxidanyl)butanoate 2,3-Dihydroxy-2-(1-hydroxyethyl)-3-methylbutanoic acid [7-[(E)-2-methyl-1-oxobut-2-enoxy]-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl ester [7-[(E)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2,3-dihydroxy-2-(1-hydroxyethyl)-3-methylbutanoate HSDB 3483 NSC 136054
Wiley ID 1367917