Spektraris NMR
Milolide I
Common Name: Milolide I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H38O12/c1-12-18(31)11-20(37-15(4)29)26(6)19(36-14(3)28)9-8-17(25(33)35-7)10-21-27(34,13(2)24(32)39-21)23(22(12)26)38-16(5)30/h10,12-13,18-23,31,34H,8-9,11H2,1-7H3/b17-10+/t12-,13-,18-,19-,20-,21-,22+,23-,26-,27-/m0/s1
InChIKey: InChIKey=VKCCOEOAHBBHMM-MPOJVAJVSA-N
Formula: C27H38O12
Molecular Weight: 554.584477
Exact Mass: 554.236327
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) | 45.1 |
| 2 (CH) | 75 |
| 3 (CH2) | 30.8 |
| 4 (CH2) | 23.1 |
| 5 (C) | 139.8 |
| 6 (CH) | 132.4 |
| 7 (CH) | 77.6 |
| 8 (C) | 82.7 |
| 9 (CH) | 76 |
| 10 (CH) | 38.2 |
| 11 (CH) | 44.7 |
| 12 (CH) | 67.1 |
| 13 (CH2) | 28.8 |
| 14 (CH) | 76.5 |
| 15 (CH3) | 15.1 |
| 16 (C) | 168.9 |
| 17 (CH) | 43.5 |
| 18 (CH3) | 6.5 |
| 19 (C) | 176 |
| 20 (CH3) | 8.8 |
| 2a (C) | 170.5 |
| 2b (CH3) | 21.7 |
| 9a (C) | 170.2 |
| 9b (CH3) | 21.3 |
| 14a (C) | 169.4 |
| 14b (CH3) | 21 |
| 16a (CH3) | 52.7 |
