Trachelanthamine

CAS Registry Number®

14140-18-2
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CAS Name

Trachelanthamine

Molecular Formula

C15H27NO4

Molecular Mass

285.38

Cite this Page

Trachelanthamine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=14140-18-2 (retrieved 2024-07-07) (CAS RN: 14140-18-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    91-92 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C15H27NO4/c1-10(2)15(19,11(3)17)14(18)20-9-12-6-8-16-7-4-5-13(12)16/h10-13,17,19H,4-9H2,1-3H3/t11-,12+,13+,15+/m1/s1

InChIKey

InChIKey=BWQSLRZZOVFVHJ-OSFYFWSMSA-N

SMILES

C(OC([C@]([C@H](C)C)([C@@H](C)O)O)=O)[C@H]1[C@]2(N(CC1)CCC2)[H]

Canonical SMILES

O=C(OCC1CCN2CCCC21)C(O)(C(O)C)C(C)C

Other Names for this Substance

  • Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, [(1R,7aS)-hexahydro-1H-pyrrolizin-1-yl]methyl ester, (2S,3R)-
  • Trachelanthamine
  • Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (hexahydro-1H-pyrrolizin-1-yl)methyl ester, [1R-[1α(2S*,3R*),7aα]]-