Spektraris NMR
16-AcetoxymilolideM
Common Name: 16-AcetoxymilolideM
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H40O13/c1-14-9-10-23(40-18(5)33)29(8)24(41-19(6)34)12-22(39-17(4)32)21(13-38-16(3)31)11-25-30(37,15(2)28(36)43-25)27(26(14)29)42-20(7)35/h9,11,15,22-27,37H,10,12-13H2,1-8H3/b21-11-/t15-,22+,23-,24-,25-,26+,27-,29+,30-/m0/s1
InChIKey: InChIKey=WGZYSTIDWIUWFX-ACURZLRNSA-N
Formula: C30H40O13
Molecular Weight: 608.631971
Exact Mass: 608.246891
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kwak, J.H., Schmitz, F.J., Williams, G.C. J Nat Prod (2002) 65, 704-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Briaranes; 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) | 45.4 |
| 2 (CH) | 73.7 |
| 3 (CH2) | 38.5 |
| 4 (CH) | 70.1 |
| 5 (C) | 142.6 |
| 6 (CH) | 123.1 |
| 7 (CH) | 78.3 |
| 8 (C) | 82.4 |
| 9 (CH) | 69.5 |
| 10 (CH) | 40.3 |
| 11 (C) | 135.1 |
| 12 (CH) | 121.2 |
| 13 (CH2) | 27.1 |
| 14 (CH) | 73.3 |
| 15 (CH3) | 15 |
| 16 (CH2) | 67.1 |
| 17 (CH) | 44.4 |
| 18 (CH3) | 7.6 |
| 19 (C) | 177.1 |
| 20 (CH3) | 25.2 |
| 2a (C) | 172.1 |
| 2b (CH3) | 22.3 |
| 4a (C) | 171.4 |
| 4b (CH3) | 21.8 |
| 9a (C) | 171.5 |
| 9b (CH3) | 22 |
| 14a (C) | 170.9 |
| 14b (CH3) | 21.6 |
| 16a (C) | 170.3 |
| 16b (CH3) | 21.8 |
