Spektraris NMR
5a-Cinnamyloxy-10b,13a-diacetoxy-2(3-->20)abeotaxa-2a,7b-dihydroxy-4(20),11-dien-9-one
Common Name: 5a-Cinnamyloxy-10b,13a-diacetoxy-2(3-->20)abeotaxa-2a,7b-dihydroxy-4(20),11-dien-9-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H40O9/c1-18-25(40-19(2)34)15-23-24(36)14-22-17-33(6,31(39)30(41-20(3)35)29(18)32(23,4)5)27(37)16-26(22)42-28(38)13-12-21-10-8-7-9-11-21/h7-14,23-27,30,36-37H,15-17H2,1-6H3/b13-12+,22-14+/t23-,24-,25-,26-,27-,30+,33-/m0/s1
InChIKey: InChIKey=WNOWLWNAESNNDL-IHNXBZDVSA-N
Formula: C33H40O9
Molecular Weight: 580.666559
Exact Mass: 580.267233
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 |
| 2 (CH) | 67.8 |
| 3 (CH2) | 35.9 |
| 4 (C) | 132 |
| 5 (CH) | 69.2 |
| 6 (CH2) | 32.3 |
| 7 (CH) | 68 |
| 8 (C) | 53.9 |
| 9 (C) | 206.9 |
| 10 (CH) | 78.4 |
| 11 (C) | 129.4 |
| 12 (C) | 137.6 |
| 13 (CH) | 70.7 |
| 14 (CH2) | 26.3 |
| 15 (C) | 37.7 |
| 16 (CH3) | 18.4 |
| 17 (CH3) | 25 |
| 18 (CH3) | 16.8 |
| 19 (CH3) | 35.5 |
| 20 (CH) | 126.3 |
| 5a (C) | 166.3 |
| 5b (CH) | 117.5 |
| 5c (CH) | 146.3 |
| 5d (C) | 132 |
| 5e (CH) | 129.1 |
| 5f (CH) | 128.1 |
| 5g (CH) | 130.8 |
| 5h (CH) | 128.1 |
| 5i (CH) | 129.1 |
| 10a (C) | 170.4 |
| 10b (CH3) | 21.3 |
| 13a (C) | 170 |
| 13b (CH3) | 21 |
