Spektraris NMR
Excavatolide B
Common Name: Excavatolide B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H42O12/c1-9-10-23(35)40-20-11-14(2)12-22-30(29(8,42-30)27(36)41-22)26(39-18(6)33)24-15(3)19(34)13-21(37-16(4)31)28(24,7)25(20)38-17(5)32/h12,15,19-22,24-26,34H,9-11,13H2,1-8H3/b14-12-/t15-,19-,20-,21-,22-,24+,25-,26-,28-,29-,30-/m0/s1
InChIKey: InChIKey=DOJARKZHQUCCCD-YBEIKGQFSA-N
Formula: C30H42O12
Molecular Weight: 594.648448
Exact Mass: 594.267627
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sheu, J.H., Sung, P.J., Cheng, M.C., Liu, H.Y., Fang, L.S., Duh, C.Y., Chiang, M.Y. J Nat Prod (1998) 61, 602-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Briaranes; 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) | 43.93 |
| 2 (CH) | 81.21 |
| 3 (CH) | 73.46 |
| 4 (CH2) | 34.22 |
| 5 (C) | 139.96 |
| 6 (CH) | 122.5 |
| 7 (CH) | 74.29 |
| 8 (C) | 69.11 |
| 9 (CH) | 65.24 |
| 10 (CH) | 39.98 |
| 11 (CH) | 35.71 |
| 12 (CH) | 65.81 |
| 13 (CH2) | 30.28 |
| 14 (CH) | 81.99 |
| 15 (CH3) | 18.25 |
| 16 (CH3) | 22.2 |
| 17 (C) | 60.36 |
| 18 (CH3) | 10.09 |
| 19 (C) | 172.59 |
| 20 (CH3) | 9.28 |
| 2a (C) | 170.82 |
| 2b (CH3) | 22.78 |
| 3a (C) | 172.32 |
| 3b (CH2) | 35.75 |
| 3c (CH2) | 18.31 |
| 3d (CH3) | 13.7 |
| 9a (C) | 171.99 |
| 9b (CH3) | 22.3 |
| 14a (C) | 170.23 |
| 14b (CH3) | 21.48 |
