Spektraris NMR
13beta,14alpha-Dihydroxy-15alpha,16xi-dimethoxyspongian-19-oic acid
Common Name: 13beta,14alpha-Dihydroxy-15alpha,16xi-dimethoxyspongian-19-oic acid
Synonyms: 13beta,14alpha-Dihydroxy-15alpha,16xi-dimethoxyspongian-19-oic acid
CAS Registry Number:
InChI: InChI=1S/C22H36O7/c1-18-9-6-10-19(2,15(23)24)13(18)7-11-20(3)14(18)8-12-21(25)16(27-4)29-17(28-5)22(20,21)26/h13-14,16-17,25-26H,6-12H2,1-5H3,(H,23,24)/t13-,14-,16?,17+,18+,19+,20-,21+,22-/m1/s1
InChIKey: InChIKey=SAZREVKRZBBRGR-BNJCYFKSSA-N
Formula: C22H36O7
Molecular Weight: 412.517891
Exact Mass: 412.246104
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Li, C.J., Schmitz, F.J., Kelly-Borges, M. J Nat Prod (1999) 62, 287-90
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Spongianes; 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) | 40.05 |
| 2 (CH2) | 17.97 |
| 3 (CH2) | 37.63 |
| 4 (C) | 43.66 |
| 5 (CH) | 56.08 |
| 6 (CH2) | 18.9 |
| 7 (CH2) | 35.01 |
| 8 (C) | 40.09 |
| 9 (CH) | 48 |
| 10 (C) | 37.98 |
| 11 (CH2) | 19.35 |
| 12 (CH2) | 29.72 |
| 13 (C) | 78.01 |
| 14 (C) | 80.81 |
| 15 (CH) | 102.76 |
| 16 (CH) | 112.03 |
| 17 (CH3) | 17.18 |
| 18 (CH3) | 28.81 |
| 19 (C) | 183.99 |
| 20 (CH3) | 14.04 |
| 15a (CH3) | 56.46 |
| 16a (CH3) | 56.57 |
