Spektraris NMR
Milolide H
Common Name: Milolide H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O12/c1-13-20(37-16(4)30)11-22(39-18(6)32)27(7)21(38-17(5)31)9-8-19(12-36-15(3)29)10-23-28(35,25(33)24(13)27)14(2)26(34)40-23/h10,13-14,20-25,33,35H,8-9,11-12H2,1-7H3/b19-10+/t13-,14-,20+,21-,22-,23-,24+,25-,27-,28-/m0/s1
InChIKey: InChIKey=GTYIUTOQPWAZKO-VCGCVTOCSA-N
Formula: C28H40O12
Molecular Weight: 568.611094
Exact Mass: 568.251977
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) | 75.4 |
| 3 (CH2) | 30.6 |
| 4 (CH2) | 24.9 |
| 5 (C) | 142.6 |
| 6 (CH) | 119.1 |
| 7 (CH) | 79 |
| 8 (C) | 83.8 |
| 9 (CH) | 76.9 |
| 10 (CH) | 33.3 |
| 11 (CH) | 43.1 |
| 12 (CH) | 73 |
| 13 (CH2) | 24.9 |
| 14 (CH) | 74.7 |
| 15 (CH3) | 15.2 |
| 16 (CH2) | 68.1 |
| 17 (CH) | 44.2 |
| 18 (CH3) | 6.8 |
| 19 (C) | 178.2 |
| 20 (CH3) | 14.8 |
| 2a (C) | 170.9 |
| 2b (CH3) | 21.5 |
| 12a (C) | 170.9 |
| 12b (CH3) | 21.2 |
| 14a (C) | 170.9 |
| 14b (CH3) | 21.5 |
| 16a (C) | 170.6 |
| 16b (CH3) | 21 |
