Chemical Properties of Butanoic acid, 2-hydroxy-2-(1-methoxyethyl)-3-methyl-, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, [1S-[1«alpha»,7(2R*,3S*),7a«alpha»]]- (CAS 303-33-3)

Butanoic acid, 2-hydroxy-2-(1-methoxyethyl)-3-methyl-, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, [1S-[1«alpha»,7(2R*,3S*),7a«alpha»]]-

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InChI
InChI=1S/C16H27NO5/c1-10(2)16(20,11(3)21-4)15(19)22-9-12-5-7-17-8-6-13(18)14(12)17/h5,10-11,13-14,18,20H,6-9H2,1-4H3
InChI Key
LMFKRLGHEKVMNT-UHFFFAOYSA-N
Formula
C16H27NO5
SMILES
COC(C)C(O)(C(=O)OCC1=CCN2CCC(O)C12)C(C)C
Molecular Weight1
313.39
CAS
303-33-3
Other Names
  • Heliotrine
  • Heliotron
  • Heliotrine (7R)
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Physical Properties

Property Value Unit Source
log10WS -1.42 Crippen Calculated Property
logPoct/wat 0.327 Crippen Calculated Property
McVol 245.310 ml/mol McGowan Calculated Property
Inp 2090.00 NIST

Similar Compounds

Heliotrine (7S). 7-senecioyllycopsamine. 3'-acetylindicine. 3'-acetylsupinine. 9-curassavoylheliotridine. 3'-cis-cinnamoylindicine. 3'-trans-cinnamoylindicine. Intermedine. Indicine. Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, [1S-[1«alpha»,7(2R*,3R*),7a«alpha»]]-. Lycopsamine. 3'-benzoylindicine. 3'-dihydrocinnamoylindicine. Creatonotine. 7-acetyl-9-curassavoylheliotridine.

Find more compounds similar to Butanoic acid, 2-hydroxy-2-(1-methoxyethyl)-3-methyl-, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, [1S-[1«alpha»,7(2R*,3S*),7a«alpha»]]-.

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