Spektraris NMR
Taxumairol U Monoacetate
Common Name: Taxumairol U Monoacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O13/c1-13-21(41-16(4)33)11-30(28(7,8)38)23(13)25(36)27(43-18(6)35)29(9)22(42-17(5)34)10-20(40-15(3)32)19(12-39-14(2)31)24(29)26(30)37/h19-22,24-27,36-38H,10-12H2,1-9H3/t19-,20+,21+,22+,24+,25-,26+,27+,29-,30+/m1/s1
InChIKey: InChIKey=SHGLCPCJPHZRMS-CSVVPJOYSA-N
Formula: C30H44O13
Molecular Weight: 612.663734
Exact Mass: 612.278191
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, Y.C., Prakash, C.V., Chen, Y.J., Hwang, J.F., Kuo, Y.H., Chen, C.Y. J Nat Prod (2001) 64, 950-2
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 (C) | 69 |
| 2 (CH) | 65 |
| 3 (CH) | 41 |
| 4 (CH) | 42.1 |
| 5 (CH) | 70.4 |
| 6 (CH2) | 29.7 |
| 7 (CH) | 69.4 |
| 8 (C) | 43.2 |
| 9 (CH) | 79.8 |
| 10 (CH) | 66.5 |
| 11 (C) | 140.7 |
| 12 (C) | 141.5 |
| 13 (CH) | 79.8 |
| 14 (CH2) | 36.9 |
| 15 (C) | 76.3 |
| 16 (CH3) | 26.8 |
| 17 (CH3) | 27.7 |
| 18 (CH3) | 11 |
| 19 (CH3) | 14.3 |
| 20 (CH2) | 63.9 |
| 5a (C) | 169.6 |
| 5b (CH3) | 20.9 |
| 7a (C) | 170 |
| 7b (CH3) | 21.5 |
| 9a (C) | 170.7 |
| 9b (CH3) | 21.3 |
| 13a (C) | 171.5 |
| 13b (CH3) | 21.5 |
| 20a (C) | 172.1 |
| 20b (CH3) | 21 |
