Spektraris NMR
9α,10β,13α-Triacetoxy-5α-cinnamoyloxy-2α-(methoxymethoxy)taxa-4(20),11-diene
Common Name: 9α,10β,13α-Triacetoxy-5α-cinnamoyloxy-2α-(methoxymethoxy)taxa-4(20),11-diene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H48O10/c1-21-28(47-30(41)16-15-26-13-11-10-12-14-26)17-18-37(8)32(21)33(43-20-42-9)27-19-29(44-23(3)38)22(2)31(36(27,6)7)34(45-24(4)39)35(37)46-25(5)40/h10-16,27-29,32-35H,1,17-20H2,2-9H3/b16-15+/t27-,28-,29-,32-,33+,34+,35-,37+/m0/s1
InChIKey: InChIKey=LNBLUZROGBXJKS-PXJXHGSXSA-N
Formula: C37H48O10
Molecular Weight: 652.772434
Exact Mass: 652.324748
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zhang, S., Wang, J., Hirose, K., Ando, M. J Nat Prod (2002) 65, 1786-92
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Taxanes; 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) | 47.02 |
| 2 (CH) | 77.38 |
| 3 (CH) | 44.15 |
| 4 (C) | 142.56 |
| 5 (CH) | 79.17 |
| 6 (CH2) | 27.84 |
| 7 (CH2) | 27.27 |
| 8 (C) | 43.74 |
| 9 (CH) | 76.89 |
| 10 (CH) | 72.29 |
| 11 (C) | 134.32 |
| 12 (C) | 137.4 |
| 13 (CH) | 70.7 |
| 14 (CH2) | 28.73 |
| 15 (C) | 37.63 |
| 16 (CH3) | 31.7 |
| 17 (CH3) | 26.87 |
| 18 (CH3) | 15.61 |
| 19 (CH3) | 18.29 |
| 20 (CH2) | 120.53 |
| 2a (CH2) | 95.83 |
| 2b (CH3) | 56.27 |
| 5a (C) | 166.21 |
| 5b (CH) | 118.91 |
| 5c (CH) | 145.2 |
| 5d (C) | 134.11 |
| 5e (CH) | 127.99 |
| 5f (CH) | 129.04 |
| 5g (CH) | 130.48 |
| 5h (CH) | 129.04 |
| 5i (CH) | 127.99 |
| 9a (C) | 169.83 |
| 9b (CH3) | 20.98 |
| 10a (C) | 170.25 |
| 10b (CH3) | 21.02 |
| 13a (C) | 170.75 |
| 13b (CH3) | 20.79 |
