(2a'R,3R,3'R,5'R,8'S,9a'R)-5-(3-Furyl)-3',8'-dihydroxy-9a'-(hydroxymethyl)-5'-methyloctahydro-3'H,6a'H-spiro[furan-3,6'-naphtho[1,8a-b]oxet]-2-one
(2a'R,3R,3'R,5'R,8'S,9a'R)-5-(3-Furyl)-3',8'-dihydroxy-9a'-(hydroxymethyl)-5'-methyloctahydro-3'H,6a'H-spiro[furan-3,6'-naphtho[1,8a-b]oxet]-2-one Structure
Systematic / IUPAC Name: (2aR,4S,6R,7R,9R,9aR)-5'-(Furan-3-yl)-4,9-dihydroxy-2a-(hydroxymethyl)-7-methylspiro[1,3,4,5,5a,7,8,9-octahydronaphtho[1,8a-b]oxete-6,3'-oxolane]-2'-one
ID: Reference7865
Other Names: Spiro[furan-3(2H),6'(8'H)-[2H,3H]naphth[1,8a-b]oxet]-2-one, 5-(3-furanyl)octahydro-3',8'-dihydroxy-9'a-(hydroxymethyl)-5'-methyl-, (2a'R,3R,3'R,5'R,8'S,9a'R)-
Formula: C20H26O7
Spectral Data
(2a'R,3R,3'R,5'R,8'S,9a'R)-5-(3-Furyl)-3',8'-dihydroxy-9a'-(hydroxymethyl)-5'-methyloctahydro-3'H,6a'H-spiro[furan-3,6'-naphtho[1,8a-b]oxet]-2-one mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP FAIMS |
| No. of Spectral Trees | 1 |
| No. of Spectra | 162 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 5/1/2018 7:56:25 AM |
Identificators
| InChI | InChI=1S/C20H26O7/c1-11-4-16(23)20-10-26-18(20,9-21)6-13(22)5-15(20)19(11)7-14(27-17(19)24)12-2-3-25-8-12/h2-3,8,11,13-16,21-23H,4-7,9-10H2,1H3/t11-,13+,14?,15?,16-,18+,19-,20+/m1/s1 |
| InChI Key | PEEGIHKIWQFTKW-PWEDHXQCSA-N |
| Canonical SMILES | CC1CC(C23COC2(CC(CC3C14CC(OC4=O)C5=COC=C5)O)CO)O |
| CAS | |
| Splash | |
| Other Names | Spiro[furan-3(2H),6'(8'H)-[2H,3H]naphth[1,8a-b]oxet]-2-one, 5-(3-furanyl)octahydro-3',8'-dihydroxy-9'a-(hydroxymethyl)-5'-methyl-, (2a'R,3R,3'R,5'R,8'S,9a'R)- |