Spektraris NMR
15(8->9)Abeo-8b(H)-6a,12b,14b-trihydroxystachan-2-one
Common Name: 15(8->9)Abeo-8b(H)-6a,12b,14b-trihydroxystachan-2-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O4/c1-17(2)8-11(21)9-19(4)15(17)13(22)7-12-16(24)18(3)5-6-20(12,19)10-14(18)23/h12-16,22-24H,5-10H2,1-4H3/t12-,13-,14+,15-,16-,18-,19-,20+/m0/s1
InChIKey: InChIKey=FKNQDOJTSWYILL-NKYOLRSBSA-N
Formula: C20H32O4
Molecular Weight: 336.466442
Exact Mass: 336.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Martin, G.D., Reynolds, W.F., Reese, P.B. Phytochemistry (2005) 66, 901-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Stachanes; 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) | 48.5 |
| 2 (C) | 214.7 |
| 3 (CH2) | 57 |
| 4 (C) | 38.8 |
| 5 (CH) | 51.5 |
| 6 (CH) | 69.2 |
| 7 (CH2) | 41.5 |
| 8 (CH) | 44.2 |
| 9 (C) | 45.1 |
| 10 (C) | 39.2 |
| 11 (CH2) | 33.6 |
| 12 (CH) | 71 |
| 13 (C) | 38.6 |
| 14 (CH) | 79.5 |
| 15 (CH2) | 26.4 |
| 16 (CH2) | 20 |
| 17 (CH3) | 18.8 |
| 18 (CH3) | 37.8 |
| 19 (CH3) | 25 |
| 20 (CH3) | 17.3 |
