(+)-Heliotrine

CAS Registry Number®

303-33-3

CAS Name

(+)-Heliotrine

Molecular Formula

C16H27NO5

Molecular Mass

313.39

Cite this Page

(+)-Heliotrine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=303-33-3 (retrieved 2024-11-22) (CAS RN: 303-33-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    125-126 °C

Source(s)

Other Names and Identifiers

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/t11-,13+,14-,16+/m1/s1

InChIKey

InChIKey=LMFKRLGHEKVMNT-UJDVCPFMSA-N

SMILES

C(OC([C@@]([C@H](OC)C)([C@@H](C)C)O)=O)C=1[C@]2(N(CC1)CC[C@@H]2O)[H]

Canonical SMILES

O=C(OCC1=CCN2CCC(O)C12)C(O)(C(OC)C)C(C)C

Other Names for this Substance

  • Butanoic acid, 2-hydroxy-2-[(1R)-1-methoxyethyl]-3-methyl-, [(1S,7aR)-2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl]methyl ester, (2S)-
  • Heliotrine
  • Butanoic acid, 2-hydroxy-2-(1-methoxyethyl)-3-methyl-, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, [1S-[1α,7[R*(S*)],7aα]]-
  • (+)-Heliotrine
  • 7S-Heliotrine

CAS INSIGHTSTM
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