Spektraris NMR
Methyl 6,11b-dihydroxy-12a-propanoyloxy)-3,7-dioxo-14b,15b-epoxy-1,5-meliacadien-29-oate
Common Name: Methyl 6,11b-dihydroxy-12a-propanoyloxy)-3,7-dioxo-14b,15b-epoxy-1,5-meliacadien-29-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H34O10/c1-7-18(32)39-24-20(34)22-26(2)10-8-16(31)27(3,25(36)37-6)21(26)19(33)23(35)29(22,5)30-17(40-30)12-15(28(24,30)4)14-9-11-38-13-14/h8-11,13,15,17,20,22,24,33-34H,7,12H2,1-6H3/t15-,17+,20+,22+,24-,26-,27-,28+,29-,30+/m0/s1
InChIKey: InChIKey=HKIUILMOGBEIDX-MNWXTTJBSA-N
Formula: C30H34O10
Molecular Weight: 554.586112
Exact Mass: 554.215197
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Simmonds, M.S., Stevenson, P.C., Porter, E.A., Veitch, N.C. J Nat Prod (2001) 64, 1117-20
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Limonoids; 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) | 151.4 |
| 2 (CH) | 126.5 |
| 3 (C) | 195.7 |
| 4 (C) | 59.3 |
| 5 (C) | 129.6 |
| 6 (C) | 141.9 |
| 7 (C) | 196.5 |
| 8 (C) | 45.9 |
| 9 (CH) | 43.9 |
| 10 (C) | 40.5 |
| 11 (CH) | 73.2 |
| 12 (CH) | 82.8 |
| 13 (C) | 44.8 |
| 14 (C) | 68.3 |
| 15 (CH) | 56.5 |
| 16 (CH2) | 31.6 |
| 17 (CH) | 42.2 |
| 18 (CH3) | 15.3 |
| 19 (CH3) | 26.5 |
| 20 (C) | 121.9 |
| 21 (CH) | 140.1 |
| 22 (CH) | 111 |
| 23 (CH) | 142.9 |
| 28 (CH3) | 22.8 |
| 29 (C) | 170.2 |
| 30 (CH3) | 22.5 |
| 12a (C) | 173.9 |
| 12b (CH2) | 27.8 |
| 12c (CH3) | 9 |
| 29a (CH3) | 52.9 |
