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
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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
C21H30O7Molecular Mass
394.46Cite 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 ) (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