1-[[(1R,7aS)-Hexahydro-1H-pyrrolizin-1-yl]methyl] 4-methyl (2R)-2-hydroxy-2-(phenylmethyl)butanedioate

CAS Registry Number®

23412-97-7

CAS Name

1-[[(1R,7aS)-Hexahydro-1H-pyrrolizin-1-yl]methyl] 4-methyl (2R)-2-hydroxy-2-(phenylmethyl)butanedioate

Molecular Formula

C20H27NO5

Molecular Mass

361.43

Cite this Page

1-[[(1R,7aS)-Hexahydro-1H-pyrrolizin-1-yl]methyl] 4-methyl (2R)-2-hydroxy-2-(phenylmethyl)butanedioate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=23412-97-7 (retrieved 2024-11-05) (CAS RN: 23412-97-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    99-101 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H27NO5/c1-25-18(22)13-20(24,12-15-6-3-2-4-7-15)19(23)26-14-16-9-11-21-10-5-8-17(16)21/h2-4,6-7,16-17,24H,5,8-14H2,1H3/t16-,17-,20+/m0/s1

InChIKey

InChIKey=DGURJYWVIFRGSZ-ABSDTBQOSA-N

SMILES

C(OC([C@@](CC1=CC=CC=C1)(CC(OC)=O)O)=O)[C@H]2[C@]3(N(CC2)CCC3)[H]

Canonical SMILES

O=C(OC)CC(O)(C(=O)OCC1CCN2CCCC21)CC=3C=CC=CC3

Other Names for this Substance

  • Butanedioic acid, 2-hydroxy-2-(phenylmethyl)-, 1-[[(1R,7aS)-hexahydro-1H-pyrrolizin-1-yl]methyl] 4-methyl ester, (2R)-
  • Phalenopsine T
  • Butanedioic acid, 2-hydroxy-2-(phenylmethyl)-, 1-[(hexahydro-1H-pyrrolizin-1-yl)methyl] 4-methyl ester, [1R-[1α(R*),7aα]]-
  • 1-[[(1R,7aS)-Hexahydro-1H-pyrrolizin-1-yl]methyl] 4-methyl (2R)-2-hydroxy-2-(phenylmethyl)butanedioate
  • Phalaenopsine T

View All

Deleted or Replaced CAS Registry Numbers

11046-53-0

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles