Spektraris NMR
Excavatolide H
Common Name: Excavatolide H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H48O13/c1-10-12-26(38)44-22-16-24(41-19(5)35)32(8)28(18(22)4)30(43-21(7)37)34-25(46-31(40)33(34,9)47-34)15-17(3)14-23(29(32)42-20(6)36)45-27(39)13-11-2/h15,18,22-25,28-30H,10-14,16H2,1-9H3/b17-15-/t18-,22-,23-,24-,25-,28+,29-,30-,32-,33-,34-/m0/s1
InChIKey: InChIKey=ISQVFOAGBSWCLK-KHLNFUGXSA-N
Formula: C34H48O13
Molecular Weight: 664.738441
Exact Mass: 664.309492
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sung, P.J., Su, J.H., Wang, G.H., Lin, S.F., Duh, C.Y., Sheu, J.H. J Nat Prod (1999) 62, 457-63
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) | 44 |
| 2 (CH) | 81.1 |
| 3 (CH) | 73.4 |
| 4 (CH2) | 34.1 |
| 5 (C) | 140 |
| 6 (CH) | 122.5 |
| 7 (CH) | 74.2 |
| 8 (C) | 69 |
| 9 (CH) | 64.9 |
| 10 (CH) | 40.1 |
| 11 (CH) | 32.9 |
| 12 (CH) | 69.9 |
| 13 (CH2) | 27 |
| 14 (CH) | 81.5 |
| 15 (CH3) | 18 |
| 16 (CH3) | 22.7 |
| 17 (C) | 60.5 |
| 18 (CH3) | 10.1 |
| 19 (C) | 172.8 |
| 20 (CH3) | 10.3 |
| 2a (C) | 170.2 |
| 2b (CH3) | 21.5 |
| 3a (C) | 172.3 |
| 3b (CH2) | 35.8 |
| 3c (CH2) | 18.4 |
| 3d (CH3) | 13.7 |
| 9a (C) | 170.8 |
| 9b (CH3) | 22.2 |
| 12a (C) | 172.4 |
| 12b (CH2) | 35.8 |
| 12c (CH2) | 18.4 |
| 12d (CH3) | 13.7 |
| 14a (C) | 172 |
| 14b (CH3) | 22.3 |
