Spektraris NMR
(1R,4abeta)-5-[2-Oxo-2-(3-furyl)ethyl]-6alpha-methyl-7alpha-acetoxy-8-oxo-8aalpha-(acetoxymethyl)octahydrospiro[naphthalene-1(2H),2'-oxirane]-5alpha-carbaldehyde
![(1R,4abeta)-5-[2-Oxo-2-(3-furyl)ethyl]-6alpha-methyl-7alpha-acetoxy-8-oxo-8aalpha-(acetoxymethyl)octahydrospiro[naphthalene-1(2H),2'-oxirane]-5alpha-carbaldehyde](/nmr/static/nmr/svg/1584.svg)
Common Name: (1R,4abeta)-5-[2-Oxo-2-(3-furyl)ethyl]-6alpha-methyl-7alpha-acetoxy-8-oxo-8aalpha-(acetoxymethyl)octahydrospiro[naphthalene-1(2H),2'-oxirane]-5alpha-carbaldehyde
Synonyms: (1R,4abeta)-5-[2-Oxo-2-(3-furyl)ethyl]-6alpha-methyl-7alpha-acetoxy-8-oxo-8aalpha-(acetoxymethyl)octahydrospiro[naphthalene-1(2H),2'-oxirane]-5alpha-carbaldehyde
CAS Registry Number:
InChI: InChI=1S/C24H28O9/c1-14-20(33-16(3)27)21(29)24(13-31-15(2)26)19(5-4-7-23(24)12-32-23)22(14,11-25)9-18(28)17-6-8-30-10-17/h6,8,10-11,14,19-20H,4-5,7,9,12-13H2,1-3H3/t14-,19-,20+,22-,23+,24+/m1/s1
InChIKey: InChIKey=ZLHICZFHNLOYEB-VALAXESQSA-N
Formula: C24H28O9
Molecular Weight: 460.474647
Exact Mass: 460.173332
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mossner, E., delaTorre, M.C., Rodriguez, B. J Nat Prod (1996) 59, 367-73
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 22 |
| 2 (CH2) | 25 |
| 3 (CH2) | 30.7 |
| 4 (C) | 60.8 |
| 5 (C) | 54.2 |
| 6 (C) | 199.6 |
| 7 (CH) | 75.2 |
| 8 (CH) | 40.1 |
| 9 (C) | 49.4 |
| 10 (CH) | 46.1 |
| 11 (CH2) | 50.3 |
| 12 (C) | 191.9 |
| 13 (C) | 127 |
| 14 (CH) | 108.3 |
| 15 (CH) | 144.4 |
| 16 (CH) | 147.4 |
| 17 (CH3) | 11.3 |
| 18 (CH2) | 51.9 |
| 19 (CH2) | 62.3 |
| 20 (CH) | 203.1 |
| 7a (C) | 170.3 |
| 7b (CH3) | 20.6 |
| 19a (C) | 169.5 |
| 19b (CH3) | 20.5 |
