(2′R,3aR,4R,6aR,7R,9aS,9bS)-3,3a,4,5,6a,7,9a,9b-Octahydro-7,9a-dihydroxy-9-methyl-3-methylene-2-oxospiro[azuleno[4,5-b]furan-6(2H),2′-oxiran]-4-yl (2Z)-2-methyl-2-butenoate

CAS Registry Number®

10191-01-2

CAS Name

(2′R,3aR,4R,6aR,7R,9aS,9bS)-3,3a,4,5,6a,7,9a,9b-Octahydro-7,9a-dihydroxy-9-methyl-3-methylene-2-oxospiro[azuleno[4,5-b]furan-6(2H),2′-oxiran]-4-yl (2Z)-2-methyl-2-butenoate

Molecular Formula

C20H24O7

Molecular Mass

376.40

Cite this Page

(2′R,3aR,4R,6aR,7R,9aS,9bS)-3,3a,4,5,6a,7,9a,9b-Octahydro-7,9a-dihydroxy-9-methyl-3-methylene-2-oxospiro[azuleno[4,5-b]furan-6(2H),2′-oxiran]-4-yl (2Z)-2-methyl-2-butenoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=10191-01-2 (retrieved 2024-11-22) (CAS RN: 10191-01-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    199-200 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H24O7/c1-5-9(2)17(22)26-13-7-19(8-25-19)15-12(21)6-10(3)20(15,24)16-14(13)11(4)18(23)27-16/h5-6,12-16,21,24H,4,7-8H2,1-3H3/b9-5-/t12-,13-,14-,15+,16+,19+,20-/m1/s1

InChIKey

InChIKey=ADBOAFOIAMBXJT-WBNZXOOCSA-N

SMILES

O[C@]12[C@]([C@]3(C[C@@H](OC(/C(=C\C)/C)=O)[C@@]4([C@@]1(OC(=O)C4=C)[H])[H])CO3)([C@H](O)C=C2C)[H]

Canonical SMILES

O=C(OC1CC2(OC2)C3C(O)C=C(C)C3(O)C4OC(=O)C(=C)C14)C(=CC)C

Other Names for this Substance

  • 2-Butenoic acid, 2-methyl-, (2′R,3aR,4R,6aR,7R,9aS,9bS)-3,3a,4,5,6a,7,9a,9b-octahydro-7,9a-dihydroxy-9-methyl-3-methylene-2-oxospiro[azuleno[4,5-b]furan-6(2H),2′-oxiran]-4-yl ester, (2Z)-
  • Guaia-3,11(13)-dien-12-oic acid, 10,14-epoxy-2β,5,6α,8β-tetrahydroxy-, 12,6-lactone, 8-(2-methylcrotonate), (Z)-
  • 2-Butenoic acid, 2-methyl-, 3,3a,4,5,6a,7,9a,9b-octahydro-7,9a-dihydroxy-9-methyl-3-methylene-2-oxospiro[azuleno[4,5-b]furan-6(2H),2′-oxiran]-4-yl ester, [3aR-[3aα,4β(Z),6α,6aα,7β,9aα,9bβ]]-
  • Crotonic acid, 2-methyl-, 8-ester with 10,14-epoxy-2β,5,6α,8β-tetrahydroxyguaia-3,11(13)-dien-12-oic acid 12,6-lactone, (Z)-
  • Spiro[azuleno[4,5-b]furan-6(2H),2′-oxirane], 2-butenoic acid deriv.

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