Symlandine

CAS Registry Number®

74410-74-5

CAS Name

Symlandine

Molecular Formula

C20H31NO6

Molecular Mass

381.46

Cite this Page

Symlandine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=74410-74-5 (retrieved 2024-11-22) (CAS RN: 74410-74-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6-/t14-,16+,17+,20-/m0/s1

InChIKey

InChIKey=MVWPTZQHBOWRTF-QKJMJVMDSA-N

SMILES

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

Canonical SMILES

O=C(OC1CCN2CC=C(COC(=O)C(O)(C(O)C)C(C)C)C21)C(=CC)C

Other Names for this Substance

  • 2-Butenoic acid, 2-methyl-, (1R,7aR)-7-[[(2S,3S)-2,3-dihydroxy-2-(1-methylethyl)-1-oxobutoxy]methyl]-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl ester, (2Z)-
  • 2-Butenoic acid, 2-methyl-, 7-[[2,3-dihydroxy-2-(1-methylethyl)-1-oxobutoxy]methyl]-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl ester, [1R-[1α(Z),7(2S*,3S*),7aβ]]-
  • Symlandine
  • 7-Angelyl-9-viridiflorylretronecine

CAS INSIGHTSTM
Targeted protein degrader structure, illustration