Spektraris NMR
Schindilactone A
Common Name: Schindilactone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H34O10/c1-12-17-19-18(13(2)23(33)35-19)37-29-20(17)25(5,21(12)31)8-9-26(39-29)11-27-15(7-6-14(26)22(29)32)24(3,4)38-28(27,34)10-16(30)36-27/h6,12-13,15,17-20,34H,7-11H2,1-5H3/t12-,13-,15-,17+,18+,19+,20-,25-,26-,27+,28+,29-/m0/s1
InChIKey: InChIKey=ZYMRAMDEHXCKFQ-NESYRFAASA-N
Formula: C29H34O10
Molecular Weight: 542.575376
Exact Mass: 542.215197
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Huang, S.X., Li, R.T., Liu, J.P., Lu, Y., Chang, Y., Lei, C., Xiao, W.L., Yang, L.B., Zheng, Q.T., Sun, H.D. Org Lett (2007) 9, 2079-82
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Schiartanes; 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 (C) | 108.3 |
| 2 (CH2) | 44 |
| 3 (C) | 173.3 |
| 4 (C) | 83.9 |
| 5 (CH) | 58.4 |
| 6 (CH2) | 23.6 |
| 7 (CH) | 135.2 |
| 8 (C) | 138 |
| 9 (C) | 81.9 |
| 10 (C) | 96.5 |
| 11 (CH2) | 39.7 |
| 12 (CH2) | 31.5 |
| 13 (C) | 50.6 |
| 14 (C) | 198.8 |
| 15 (C) | 99 |
| 16 (CH) | 45.7 |
| 17 (C) | 220.4 |
| 18 (CH3) | 26.4 |
| 19 (CH2) | 40.8 |
| 20 (CH) | 44.9 |
| 21 (CH3) | 14.8 |
| 22 (CH) | 40.3 |
| 23 (CH) | 75.3 |
| 24 (CH) | 68.5 |
| 25 (CH) | 42.4 |
| 26 (C) | 178.2 |
| 27 (CH3) | 8.5 |
| 28 (CH3) | 29 |
| 29 (CH3) | 24.4 |
