(-)-Bakkenolide B

CAS Registry Number®

18455-98-6
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CAS Name

(-)-Bakkenolide B

Molecular Formula

C22H30O6

Molecular Mass

390.47

Cite this Page

(-)-Bakkenolide B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=18455-98-6 (retrieved 2024-09-07) (CAS RN: 18455-98-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    101-102 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H30O6/c1-7-12(2)19(24)28-16-9-8-13(3)21(6)11-22(14(4)10-26-20(22)25)18(17(16)21)27-15(5)23/h7,13,16-18H,4,8-11H2,1-3,5-6H3/b12-7-/t13-,16-,17+,18+,21+,22+/m0/s1

InChIKey

InChIKey=AVAGQVZSHJYDED-RRIKAWJQSA-N

SMILES

O(C(C)=O)[C@H]1[C@@]2(C[C@@]3(C)[C@@]1([C@@H](OC(/C(=C\C)/C)=O)CC[C@@H]3C)[H])C(=C)COC2=O

Canonical SMILES

O=C(OC1CCC(C)C2(C)CC3(C(=O)OCC3=C)C(OC(=O)C)C12)C(=CC)C

Other Names for this Substance

  • 2-Butenoic acid, 2-methyl-, (2′R,3′R,3′aR,4′S,7′S,7′aR)-3′-(acetyloxy)decahydro-7′,7′a-dimethyl-4-methylene-2-oxospiro[furan-3(2H),2′-[2H]inden]-4′-yl ester, (2Z)-
  • Crotonic acid, 2-methyl-, 7′-ester with 3′a,4,4′,5,5′,6′,7′,7′aβ-octahydro-1′β,7′α-dihydroxy-3′aβ,4′β-dimethyl-4-methylenespiro[furan-3(2H),2′-indan]-2-one acetate, (Z)-
  • 2-Butenoic acid, 2-methyl-, 3′-(acetyloxy)decahydro-7′,7′a-dimethyl-4-methylene-2-oxospiro[furan-3(2H),2′-[2H]inden]-4′-yl ester, [2′R-[2′α,3′α,3′aα,4′β(Z),7′α,7′aα]]-
  • Spiro[furan-3(2H),2′-indan]-2-one, octahydro-1′,7′-dihydroxy-3′a,4′-dimethyl-4-methylene-, 1′-acetate 2-methylcrotonate, (Z)-
  • Bakkenolide B

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Deleted or Replaced CAS Registry Numbers

19903-88-9, 24951-37-9, 25151-91-1