(2E)-2-[[[(2′R,3aR,4R,6aS,7R,9aR,9bR)-7-(Acetyloxy)-3,3a,4,5,6a,7,9a,9b-octahydro-9-methyl-3-methylene-2-oxospiro[azuleno[4,5-b]furan-6(2H),2′-oxiran]-4-yl]oxy]carbonyl]-2-buten-1-yl (2E)-2-(hydroxymethyl)-2-butenoate

CAS Registry Number®

53142-46-4

CAS Name

(2E)-2-[[[(2′R,3aR,4R,6aS,7R,9aR,9bR)-7-(Acetyloxy)-3,3a,4,5,6a,7,9a,9b-octahydro-9-methyl-3-methylene-2-oxospiro[azuleno[4,5-b]furan-6(2H),2′-oxiran]-4-yl]oxy]carbonyl]-2-buten-1-yl (2E)-2-(hydroxymethyl)-2-butenoate

Molecular Formula

C27H32O10

Molecular Mass

516.54

Cite this Page

(2E)-2-[[[(2′R,3aR,4R,6aS,7R,9aR,9bR)-7-(Acetyloxy)-3,3a,4,5,6a,7,9a,9b-octahydro-9-methyl-3-methylene-2-oxospiro[azuleno[4,5-b]furan-6(2H),2′-oxiran]-4-yl]oxy]carbonyl]-2-buten-1-yl (2E)-2-(hydroxymethyl)-2-butenoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=53142-46-4 (retrieved 2024-11-08) (CAS RN: 53142-46-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H32O10/c1-6-16(10-28)25(31)33-11-17(7-2)26(32)36-19-9-27(12-34-27)22-18(35-15(5)29)8-13(3)20(22)23-21(19)14(4)24(30)37-23/h6-8,18-23,28H,4,9-12H2,1-3,5H3/b16-6+,17-7+/t18-,19-,20+,21-,22-,23-,27+/m1/s1

InChIKey

InChIKey=KECRQSRAHLUNQU-ILTWLPKVSA-N

SMILES

O(C(C)=O)[C@H]1[C@]2([C@]3(C[C@@H](OC(/C(/COC(/C(=C/C)/CO)=O)=C/C)=O)[C@@]4([C@@]([C@]2(C(C)=C1)[H])(OC(=O)C4=C)[H])[H])CO3)[H]

Canonical SMILES

O=C(OCC(=CC)C(=O)OC1CC2(OC2)C3C(OC(=O)C)C=C(C)C3C4OC(=O)C(=C)C14)C(=CC)CO

Other Names for this Substance

  • 2-Butenoic acid, 2-(hydroxymethyl)-, (2E)-2-[[[(2′R,3aR,4R,6aS,7R,9aR,9bR)-7-(acetyloxy)-3,3a,4,5,6a,7,9a,9b-octahydro-9-methyl-3-methylene-2-oxospiro[azuleno[4,5-b]furan-6(2H),2′-oxiran]-4-yl]oxy]carbonyl]-2-buten-1-yl ester, (2E)-
  • 2-Butenoic acid, 2-(hydroxymethyl)-, 2-[[[7-(acetyloxy)-3,3a,4,5,6a,7,9a,9b-octahydro-9-methyl-3-methylene-2-oxospiro[azuleno[4,5-b]furan-6(2H),2′-oxiran]-4-yl]oxy]carbonyl]-2-butenyl ester, [3aR-[3aα,4β[E(E)],6α,6aα,7β,9aα,9bβ]]-
  • 2-Butenoic acid, 2-(hydroxymethyl)-, (2E)-2-[[[(2′R,3aR,4R,6aS,7R,9aR,9bR)-7-(acetyloxy)-3,3a,4,5,6a,7,9a,9b-octahydro-9-methyl-3-methylene-2-oxospiro[azuleno[4,5-b]furan-6(2H),2′-oxiran]-4-yl]oxy]carbonyl]-2-butenyl ester, (2E)-
  • Spiro[azuleno[4,5-b]furan-6(2H),2′-oxirane], 2-butenoic acid deriv.
  • (2E)-2-[[[(2′R,3aR,4R,6aS,7R,9aR,9bR)-7-(Acetyloxy)-3,3a,4,5,6a,7,9a,9b-octahydro-9-methyl-3-methylene-2-oxospiro[azuleno[4,5-b]furan-6(2H),2′-oxiran]-4-yl]oxy]carbonyl]-2-buten-1-yl (2E)-2-(hydroxymethyl)-2-butenoate

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