2-Butenoic acid, 2-methyl-, (1aR,3R,3aR,6aR,7E,9S,10aR)-1a,2,3,3a,4,5,6a,9,10,10a-decahydro-9-hydroxy-1a,8-dimethyl-4-methylene-5-oxooxireno[5,6]cyclodeca[1,2-b]furan-3-yl ester, (2E)-

CAS Registry Number®

13323-48-3
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CAS Name

2-Butenoic acid, 2-methyl-, (1aR,3R,3aR,6aR,7E,9S,10aR)-1a,2,3,3a,4,5,6a,9,10,10a-decahydro-9-hydroxy-1a,8-dimethyl-4-methylene-5-oxooxireno[5,6]cyclodeca[1,2-b]furan-3-yl ester, (2E)-

Molecular Formula

C20H26O6

Molecular Mass

362.42

Cite this Page

2-Butenoic acid, 2-methyl-, (1aR,3R,3aR,6aR,7E,9S,10aR)-1a,2,3,3a,4,5,6a,9,10,10a-decahydro-9-hydroxy-1a,8-dimethyl-4-methylene-5-oxooxireno[5,6]cyclodeca[1,2-b]furan-3-yl ester, (2E)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=13323-48-3 (retrieved 2024-04-29) (CAS RN: 13323-48-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    213-215 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H26O6/c1-6-10(2)18(22)25-15-9-20(5)16(26-20)8-13(21)11(3)7-14-17(15)12(4)19(23)24-14/h6-7,13-17,21H,4,8-9H2,1-3,5H3/b10-6+,11-7-/t13-,14+,15+,16+,17-,20+/m0/s1

InChIKey

InChIKey=DZTWAOVNNLDWNH-GLKVUGPASA-N

SMILES

O(C(/C(=C/C)/C)=O)[C@H]1[C@@]2([C@](OC(=O)C2=C)(/C=C(/C)\[C@@H](O)C[C@@]3([C@@](C)(C1)O3)[H])[H])[H]

Canonical SMILES

O=C(OC1CC2(OC2CC(O)C(=CC3OC(=O)C(=C)C31)C)C)C(=CC)C

Other Names for this Substance

  • 2-Butenoic acid, 2-methyl-, (1aR,3R,3aR,6aR,7E,9S,10aR)-1a,2,3,3a,4,5,6a,9,10,10a-decahydro-9-hydroxy-1a,8-dimethyl-4-methylene-5-oxooxireno[5,6]cyclodeca[1,2-b]furan-3-yl ester, (2E)-
  • Germacra-4,11(13)-dien-12-oic acid, 1β,10-epoxy-3β,6α,8β-trihydroxy-, 12,6-lactone, 8-(2-methylcrotonate), (E,E)-
  • Heliangin
  • 2-Butenoic acid, 2-methyl-, 1a,2,3,5a,7,8,8a,9,10,10a-decahydro-3-hydroxy-4,10a-dimethyl-8-methylene-7-oxooxireno[5,6]cyclodeca[1,2-b]furan-9-yl ester, [1aR-[1aR*,3S*,4E,5aR*,8aR*,9R*(E),10aR*]]-
  • 2-Butenoic acid, 2-methyl-, (1aR,3S,4E,5aR,8aR,9R,10aR)-1a,2,3,5a,7,8,8a,9,10,10a-decahydro-3-hydroxy-4,10a-dimethyl-8-methylene-7-oxooxireno[5,6]cyclodeca[1,2-b]furan-9-yl ester, (2E)-

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Deleted or Replaced CAS Registry Numbers

7727-78-8, 10098-43-8

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