Spektraris NMR
Malayenolide B
Common Name: Malayenolide B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H34O7/c1-16-11-12-23(35-27(32)19-9-7-6-8-10-19)28(4)22(14-20-17(2)26(31)34-21(20)13-16)29(5)25(36-29)15-24(28)33-18(3)30/h6-10,13,21-25H,11-12,14-15H2,1-5H3/b16-13-/t21-,22+,23-,24-,25-,28-,29+/m0/s1
InChIKey: InChIKey=GAGKMCOQPVBDOW-ZYVBNYDISA-N
Formula: C29H34O7
Molecular Weight: 494.577161
Exact Mass: 494.230453
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fu, X., Schmitz, F.J., Williams, G.C. J Nat Prod (1999) 62, 584-6
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) | 41.6 |
| 2 (CH) | 74.9 |
| 3 (CH2) | 33.6 |
| 4 (CH2) | 29.5 |
| 5 (C) | 143.7 |
| 6 (CH) | 122.9 |
| 7 (CH) | 80.8 |
| 8 (C) | 160.1 |
| 9 (CH2) | 28.5 |
| 10 (CH) | 35.7 |
| 11 (C) | 63 |
| 12 (CH) | 60.7 |
| 13 (CH2) | 25.8 |
| 14 (CH) | 72.6 |
| 15 (CH3) | 13.9 |
| 16 (CH3) | 27.7 |
| 17 (C) | 125.3 |
| 18 (CH3) | 9.5 |
| 19 (C) | 173.9 |
| 20 (CH3) | 23 |
| 2a (C) | 166 |
| 2b (C) | 129.9 |
| 2c (CH) | 129.5 |
| 2d (CH) | 128.5 |
| 2e (CH) | 133.1 |
| 2f (CH) | 128.5 |
| 2g (CH) | 129.5 |
| 14a (C) | 169.9 |
| 14b (CH3) | 21 |
