Spektraris NMR
5a-Cinnamyloxy-7b,10b,13a-triacetoxy-2(3f20)abeotaxa-2a-hydroxy-4(20),11-dien-9-one
Common Name: 5a-Cinnamyloxy-7b,10b,13a-triacetoxy-2(3f20)abeotaxa-2a-hydroxy-4(20),11-dien-9-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H42O10/c1-19-27(42-20(2)36)16-25-26(39)15-24-18-35(7,33(41)32(44-22(4)38)31(19)34(25,5)6)29(43-21(3)37)17-28(24)45-30(40)14-13-23-11-9-8-10-12-23/h8-15,25-29,32,39H,16-18H2,1-7H3/b14-13+,24-15+/t25-,26-,27-,28-,29-,32+,35-/m0/s1
InChIKey: InChIKey=RCVDERYCNOTRPF-CRMVJMMESA-N
Formula: C35H42O10
Molecular Weight: 622.703317
Exact Mass: 622.277798
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shi, Q., Oritani, T., Sugiyama, T., Murakami, R., Wei, H. J Nat Prod (1999) 62, 1114-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abeo-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) | 49.9 |
| 2 (CH) | 68.8 |
| 3 (CH2) | 36.2 |
| 4 (C) | 131.9 |
| 5 (CH) | 70.8 |
| 6 (CH2) | 33.1 |
| 7 (CH) | 70.1 |
| 8 (C) | 53.9 |
| 9 (C) | 206.7 |
| 10 (CH) | 78.7 |
| 11 (C) | 129.5 |
| 12 (C) | 139.6 |
| 13 (CH) | 71.2 |
| 14 (CH2) | 27.1 |
| 15 (C) | 38.4 |
| 16 (CH3) | 21.2 |
| 17 (CH3) | 25.9 |
| 18 (CH3) | 17.9 |
| 19 (CH3) | 33.3 |
| 20 (CH) | 128.8 |
| 5a (C) | 167.3 |
| 5b (CH) | 118.4 |
| 5c (CH) | 147.1 |
| 5d (C) | 134.7 |
| 5e (CH) | 129.8 |
| 5f (CH) | 128.9 |
| 5g (CH) | 131.5 |
| 5h (CH) | 128.9 |
| 5i (CH) | 129.8 |
| 7a (C) | 171.2 |
| 7b (CH3) | 21.7 |
| 10a (C) | 170.3 |
| 10b (CH3) | 21.9 |
| 13a (C) | 171.3 |
| 13b (CH3) | 21.6 |
