Spektraris NMR
15alpha-methoxy-16-oxospongi-13-en-19-oic acid
Common Name: 15alpha-methoxy-16-oxospongi-13-en-19-oic acid
Synonyms: 15alpha-methoxy-16-oxospongi-13-en-19-oic acid
CAS Registry Number:
InChI: InChI=1S/C21H30O5/c1-19-9-5-10-21(3,18(23)24)14(19)8-11-20(2)13(19)7-6-12-15(20)17(25-4)26-16(12)22/h13-14,17H,5-11H2,1-4H3,(H,23,24)/t13-,14-,17+,19-,20-,21+/m1/s1
InChIKey: InChIKey=APEVQNKHLPKOPW-SOEYYFHNSA-N
Formula: C21H30O5
Molecular Weight: 362.460701
Exact Mass: 362.209324
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) | 39.9 |
| 2 (CH2) | 17.18 |
| 3 (CH2) | 37.66 |
| 4 (C) | 43.7 |
| 5 (CH) | 56.9 |
| 6 (CH2) | 18.87 |
| 7 (CH2) | 36.29 |
| 8 (C) | 37.5 |
| 9 (CH) | 54.79 |
| 10 (C) | 38.12 |
| 11 (CH2) | 19.32 |
| 12 (CH2) | 21.5 |
| 13 (C) | 127.9 |
| 14 (C) | 165.89 |
| 15 (CH) | 101.85 |
| 16 (C) | 171.51 |
| 17 (CH3) | 22.56 |
| 18 (CH3) | 28.75 |
| 19 (C) | 183.64 |
| 20 (CH3) | 14.03 |
| 15a (CH3) | 56.72 |
