2-Butenoic acid, 2-methyl-, (1S,7aR)-7-[[(2S)-2-[(1S)-1-(acetyloxy)ethyl]-2,3-dihydroxy-3-methyl-1-oxobutoxy]methyl]-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl ester, (2Z)-

CAS Registry Number®

31514-30-4

CAS Name

2-Butenoic acid, 2-methyl-, (1S,7aR)-7-[[(2S)-2-[(1S)-1-(acetyloxy)ethyl]-2,3-dihydroxy-3-methyl-1-oxobutoxy]methyl]-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl ester, (2Z)-

Molecular Formula

C22H33NO8

Molecular Mass

439.50

Cite this Page

2-Butenoic acid, 2-methyl-, (1S,7aR)-7-[[(2S)-2-[(1S)-1-(acetyloxy)ethyl]-2,3-dihydroxy-3-methyl-1-oxobutoxy]methyl]-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl ester, (2Z)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=31514-30-4 (retrieved 2024-11-22) (CAS RN: 31514-30-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H33NO8/c1-7-13(2)19(25)31-17-9-11-23-10-8-16(18(17)23)12-29-20(26)22(28,21(5,6)27)14(3)30-15(4)24/h7-8,14,17-18,27-28H,9-12H2,1-6H3/b13-7-/t14-,17-,18+,22+/m0/s1

InChIKey

InChIKey=LHYJPODIMQKZHJ-ZEQSJKFYSA-N

SMILES

C(OC([C@]([C@@H](OC(C)=O)C)(C(C)(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(OC(=O)C)C)C(O)(C)C)C21)C(=CC)C

Other Names for this Substance

  • 2-Butenoic acid, 2-methyl-, (1S,7aR)-7-[[(2S)-2-[(1S)-1-(acetyloxy)ethyl]-2,3-dihydroxy-3-methyl-1-oxobutoxy]methyl]-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl ester, (2Z)-
  • Heliosupine, monoacetate (ester)
  • 2-Butenoic acid, 2-methyl-, 7-[[2-[1-(acetyloxy)ethyl]-2,3-dihydroxy-3-methyl-1-oxobutoxy]methyl]-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl ester, [1S-[1α(Z),7[R*(R*)],7aα]]-
  • Acetylheliosupine
  • Cynoglossophine acetate

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