Spektraris NMR
(13R)-1b-11b-diacetoxy-6a-hydroxy-7b-senecioyloxy-8b,13-epoxy-4(18)-neocleroden-15,16-olide
Common Name: (13R)-1b-11b-diacetoxy-6a-hydroxy-7b-senecioyloxy-8b,13-epoxy-4(18)-neocleroden-15,16-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H40O10/c1-15(2)11-21(32)38-25-24(34)26(6)16(3)9-10-19(36-17(4)30)23(26)27(7)20(37-18(5)31)12-29(39-28(25,27)8)13-22(33)35-14-29/h11,19-20,23-25,34H,3,9-10,12-14H2,1-2,4-8H3/t19-,20+,23+,24+,25+,26+,27-,28+,29-/m1/s1
InChIKey: InChIKey=ACWKUJGPFSGZLI-MNTCVBCLSA-N
Formula: C29H40O10
Molecular Weight: 548.62302
Exact Mass: 548.262148
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Esquivel, B., Calderon, J.S., Flores, E. Phytochemistry (1998) 47, 135-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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 (CH) | 72.6 |
| 2 (CH2) | 25.5 |
| 3 (CH2) | 26.9 |
| 4 (C) | 152.1 |
| 5 (C) | 44 |
| 6 (CH) | 72 |
| 7 (CH) | 74.5 |
| 8 (C) | 83.1 |
| 9 (C) | 43.9 |
| 10 (CH) | 44.8 |
| 11 (CH) | 71.9 |
| 12 (CH2) | 34.5 |
| 13 (C) | 77.4 |
| 14 (CH2) | 42.6 |
| 15 (C) | 174.1 |
| 16 (CH2) | 79.1 |
| 17 (CH3) | 20.2 |
| 18 (CH2) | 107.5 |
| 19 (CH3) | 18.2 |
| 20 (CH3) | 17.8 |
| 1a (C) | 170.9 |
| 1b (CH3) | 20.5 |
| 7a (C) | 167.3 |
| 7b (CH) | 115.3 |
| 7c (C) | 159.5 |
| 7d (CH3) | 27.6 |
| 7e (CH3) | 20.5 |
| 11a (C) | 170.2 |
| 11b (CH3) | 21.6 |
