(-)-Bakkenolide D
CAS Registry Number®
18456-03-6
No image available.
CAS Name
(-)-Bakkenolide DMolecular Formula
C21H28O6SMolecular Mass
408.51Cite 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 ) (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
Deleted or Replaced CAS Registry Numbers
20055-53-2
