Spektraris NMR
Isocryptoporic acid I
Common Name: Isocryptoporic acid I
Synonyms: Isocryptoporic acid I
CAS Registry Number:
InChI: InChI=1S/C21H32O8/c1-11-5-6-14-20(2,3)15(22)7-8-21(14,4)13(11)10-29-17(19(27)28)12(18(25)26)9-16(23)24/h5,12-15,17,22H,6-10H2,1-4H3,(H,23,24)(H,25,26)(H,27,28)/t12-,13-,14-,15-,17+,21+/m0/s1
InChIKey: InChIKey=RIUQIOHIZIJIQO-OECSREOESA-N
Formula: C21H32O8
Molecular Weight: 412.474797
Exact Mass: 412.209718
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Cabrera G.M., Julia Roberti M., Wright J.E., Seldes A.M. Phytochemistry (2002) 61, 189-93
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Drimanes; 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) | 38.9 |
| 2 (CH2) | 28.1 |
| 3 (CH) | 79.7 |
| 4 (C) | 39.8 |
| 5 (CH) | 51 |
| 6 (CH2) | 24.4 |
| 7 (CH) | 123.6 |
| 8 (C) | 134.7 |
| 9 (CH) | 56.2 |
| 10 (C) | 36.8 |
| 11 (CH2) | 70.5 |
| 12 (CH3) | 22.1 |
| 13 (CH3) | 28.7 |
| 14 (CH3) | 15.9 |
| 15 (CH3) | 15 |
| 11a (CH) | 80.2 |
| 11b (CH) | 45.8 |
| 11c (CH2) | 33.2 |
| 11aa (C) | 173.9 |
| 11ba (C) | 174.4 |
| 11ca (C) | 175.4 |
