Spektraris NMR
16alpha-methoxy-15-oxospongi-13-en-19-oic acid
Common Name: 16alpha-methoxy-15-oxospongi-13-en-19-oic acid
Synonyms: 16alpha-methoxy-15-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)16(22)26-17(12)25-4/h13-14,17H,5-11H2,1-4H3,(H,23,24)/t13-,14-,17-,19-,20-,21+/m1/s1
InChIKey: InChIKey=TVJZRHHUGFVBCQ-RVVYYDBMSA-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) | 39.92 |
| 2 (CH2) | 16.99 |
| 3 (CH2) | 37.79 |
| 4 (C) | 43.68 |
| 5 (CH) | 56.95 |
| 6 (CH2) | 18.9 |
| 7 (CH2) | 36.16 |
| 8 (C) | 35.19 |
| 9 (CH) | 55.82 |
| 10 (C) | 37.96 |
| 11 (CH2) | 19.37 |
| 12 (CH2) | 24.56 |
| 13 (C) | 156.23 |
| 14 (C) | 139.24 |
| 15 (C) | 169.1 |
| 16 (CH) | 102.25 |
| 17 (CH3) | 20.76 |
| 18 (CH3) | 28.72 |
| 19 (C) | 183.05 |
| 20 (CH3) | 13.96 |
| 16a (CH3) | 56.74 |
