2-Butenoic acid, 2-methyl-, (2,5-dihydro-5-hydroxy-4-methyl-2-oxo-3-furanyl)(3-methoxy-5,6-dimethyl-2-oxabicyclo[2.2.2]oct-5-yl)methyl ester, [1S-[1α,3α,4α,5α[1R*(Z),1(S*)],6β]]-

CAS Registry Number®

178402-71-6
No image available.

CAS Name

2-Butenoic acid, 2-methyl-, (2,5-dihydro-5-hydroxy-4-methyl-2-oxo-3-furanyl)(3-methoxy-5,6-dimethyl-2-oxabicyclo[2.2.2]oct-5-yl)methyl ester, [1S-[1α,3α,4α,5α[1R*(Z),1(S*)],6β]]-

Molecular Formula

C21H30O7

Molecular Mass

394.46

Cite this Page

2-Butenoic acid, 2-methyl-, (2,5-dihydro-5-hydroxy-4-methyl-2-oxo-3-furanyl)(3-methoxy-5,6-dimethyl-2-oxabicyclo[2.2.2]oct-5-yl)methyl ester, [1S-[1α,3α,4α,5α[1R*(Z),1(S*)],6β]]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=178402-71-6 (retrieved 2024-09-20) (CAS RN: 178402-71-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H30O7/c1-7-10(2)17(22)27-16(15-11(3)18(23)28-19(15)24)21(5)12(4)14-9-8-13(21)20(25-6)26-14/h7,12-14,16,18,20,23H,8-9H2,1-6H3/b10-7-/t12-,13-,14-,16+,18+,20-,21+/m0/s1

InChIKey

InChIKey=YEMKZDPASIYASW-JSWBBACYSA-N

SMILES

[C@H](OC(/C(=C\C)/C)=O)([C@@]1(C)[C@@]2([C@@H](OC)O[C@]([C@@H]1C)(CC2)[H])[H])C3=C(C)[C@H](O)OC3=O

Canonical SMILES

O=C(OC(C=1C(=O)OC(O)C1C)C2(C)C(C)C3OC(OC)C2CC3)C(=CC)C

Other Names for this Substance

  • 2-Butenoic acid, 2-methyl-, (2,5-dihydro-5-hydroxy-4-methyl-2-oxo-3-furanyl)(3-methoxy-5,6-dimethyl-2-oxabicyclo[2.2.2]oct-5-yl)methyl ester, [1S-[1α,3α,4α,5α[1R*(Z),1(S*)],6β]]-
  • 12R-Secoeremopetasitolide B