Spektraris NMR
Xindongnin P
Common Name: Xindongnin P
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C44H64O13/c1-19(45)55-27-31-37(3,4)25(48)9-11-39(31,7)29-23(47)15-21-17-41(29,33(27)50)35(52)43(21,54)13-14-44-22-16-24(57-44)30-40(8)12-10-26(49)38(5,6)32(40)28(56-20(2)46)34(51)42(30,18-22)36(44)53/h21-34,47-51,54H,9-18H2,1-8H3/t21?,22-,23+,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34+,39+,40+,41-,42-,43+,44+/m1/s1
InChIKey: InChIKey=RTIIBKTVDRXJSY-XGFICMETSA-N
Formula: C44H64O13
Molecular Weight: 800.972852
Exact Mass: 800.434692
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Han, Q.B., He, Z.D., Qiao, C.F., Xu, H.X., Sun, H.D. Helv Chim Acta (2005) 88, 817-21
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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 (CH2) | 37.4 |
| 2 (CH2) | 26.1 |
| 3 (CH) | 75.6 |
| 4 (C) | 38.1 |
| 5 (CH) | 41.4 |
| 6 (CH) | 72.6 |
| 7 (CH) | 71.9 |
| 8 (C) | 53.2 |
| 9 (CH) | 59.1 |
| 10 (C) | 38.4 |
| 11 (CH) | 77 |
| 12 (CH2) | 38.2 |
| 13 (CH) | 38.8 |
| 14 (CH2) | 34.1 |
| 15 (C) | 213.1 |
| 16 (C) | 85.7 |
| 17 (CH2) | 27.3 |
| 18 (CH3) | 30 |
| 19 (CH3) | 26.2 |
| 20 (CH3) | 21.8 |
| 1' (CH2) | 35.1 |
| 2' (CH2) | 26.2 |
| 3' (CH) | 75.8 |
| 4' (C) | 38.1 |
| 5' (CH) | 41.1 |
| 6' (CH) | 72.4 |
| 7' (CH) | 74 |
| 8' (C) | 50.7 |
| 9' (CH) | 58.5 |
| 10' (C) | 38.4 |
| 11' (CH) | 64 |
| 12' (CH2) | 34.1 |
| 13' (CH) | 33.8 |
| 14' (CH2) | 36.1 |
| 15' (C) | 226.6 |
| 16' (C) | 56.5 |
| 17' (CH2) | 21.2 |
| 18' (CH3) | 29.4 |
| 19' (CH3) | 26.1 |
| 20' (CH3) | 19.8 |
| 6a (C) | 170.5 |
| 6b (CH3) | 21.5 |
| 6'a (C) | 170 |
| 6'b (CH3) | 21.4 |
