Spektraris NMR
bis-7-Hydroxyerogorgiaene
Common Name: bis-7-Hydroxyerogorgiaene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H58O2/c1-23(2)13-11-15-25(5)31-19-17-27(7)35-33(31)21-29(9)39(41)37(35)38-36-28(8)18-20-32(26(6)16-12-14-24(3)4)34(36)22-30(10)40(38)42/h13-14,21-22,25-28,31-32,41-42H,11-12,15-20H2,1-10H3/t25-,26-,27-,28+,31+,32-/m1/s1
InChIKey: InChIKey=PHRDMTNRTARUET-QBAMHORQSA-N
Formula: C40H58O2
Molecular Weight: 570.888809
Exact Mass: 570.443681
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, A.D., Ramirez, C. J Nat Prod (2001) 64, 100-2
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Serrulatanes; 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 (CH) | 30.1 |
| 2 (CH2) | 17.8 |
| 3 (CH2) | 28.1 |
| 4 (CH) | 38.9 |
| 5 (CH) | 132 |
| 6 (C) | 122 |
| 7 (C) | 149.6 |
| 8 (C) | 117.6 |
| 9 (C) | 140.9 |
| 10 (C) | 132.1 |
| 11 (CH) | 39.8 |
| 12 (CH2) | 35.8 |
| 13 (CH2) | 26.3 |
| 14 (CH) | 124.9 |
| 15 (C) | 131.3 |
| 16 (CH3) | 25.8 |
| 17 (CH3) | 17.7 |
| 18 (CH3) | 16.4 |
| 19 (CH3) | 16.2 |
| 20 (CH3) | 21.5 |
| 1' (CH) | 30.1 |
| 2' (CH2) | 17.8 |
| 3' (CH2) | 28.1 |
| 4' (CH) | 38.9 |
| 5' (CH) | 132 |
| 6' (C) | 122 |
| 7' (C) | 149.6 |
| 8' (C) | 117.6 |
| 9' (C) | 140.9 |
| 10' (C) | 132.1 |
| 11' (CH) | 39.8 |
| 12' (CH2) | 35.8 |
| 13' (CH2) | 26.3 |
| 14' (CH) | 124.9 |
| 15' (C) | 131.3 |
| 16' (CH3) | 25.8 |
| 17' (CH3) | 17.7 |
| 18' (CH3) | 16.4 |
| 19' (CH3) | 16.2 |
| 20' (CH3) | 21.5 |
