(-)-Bakkenolide D

CAS Registry Number®

18456-03-6

CAS Name

(-)-Bakkenolide D

Molecular Formula

C21H28O6S

Molecular Mass

408.51

Cite this Page

(-)-Bakkenolide D.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=18456-03-6 (retrieved 2024-11-24) (CAS RN: 18456-03-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    200-201 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H28O6S/c1-12-6-7-15(27-16(23)8-9-28-5)17-18(26-14(3)22)21(11-20(12,17)4)13(2)10-25-19(21)24/h8-9,12,15,17-18H,2,6-7,10-11H2,1,3-5H3/b9-8-/t12-,15-,17+,18+,20+,21+/m0/s1

InChIKey

InChIKey=LWHLMCCRIWZBQO-PDSBHGERSA-N

SMILES

O(C(C)=O)[C@H]1[C@@]2(C[C@@]3(C)[C@@]1([C@@H](OC(/C=C\SC)=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=CSC

Other Names for this Substance

  • 2-Propenoic acid, 3-(methylthio)-, (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)-
  • Acrylic acid, 3-(methylthio)-, 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-Propenoic acid, 3-(methylthio)-, 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, 3′a,4,4′,5,5′,6,7,7′aβ-octahydro-1′β,7′α-dihydroxy-3′aβ,4′β-dimethyl-4-methylene-, 1′-acetate 3-(methylthio)acrylate, (Z)-
  • Bakkenolide D

View All

Deleted or Replaced CAS Registry Numbers

20055-53-2

CAS INSIGHTSTM
Hourglass and a clock