Spektraris NMR
Renillin D
Common Name: Renillin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O10/c1-8-9-22(31)36-18-11-10-14(2)12-21-28(33,15(3)25(32)37-21)24(35-17(5)30)23-26(18,6)19(34-16(4)29)13-20-27(23,7)38-20/h12,15,18-21,23-24,33H,8-11,13H2,1-7H3/b14-12-/t15-,18-,19-,20+,21-,23+,24-,26-,27+,28-/m0/s1
InChIKey: InChIKey=JYKZNLVAPYOOQZ-FKWMLNEVSA-N
Formula: C28H40O10
Molecular Weight: 536.612285
Exact Mass: 536.262148
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Barsby, T., Kubanek, J. J Nat Prod (2005) 68, 511-6
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) | 42.9 |
| 2 (CH) | 74.9 |
| 3 (CH2) | 31 |
| 4 (CH2) | 28.4 |
| 5 (C) | 143.6 |
| 6 (CH) | 119.7 |
| 7 (CH) | 78.5 |
| 8 (C) | 81.4 |
| 9 (CH) | 69.2 |
| 10 (CH) | 38.3 |
| 11 (C) | 57.7 |
| 12 (CH) | 59.3 |
| 13 (CH2) | 24.5 |
| 14 (CH) | 72.9 |
| 15 (CH3) | 14.7 |
| 16 (CH3) | 27.2 |
| 17 (CH) | 43.1 |
| 18 (CH3) | 6.9 |
| 19 (C) | 176.3 |
| 20 (CH3) | 26.3 |
| 2a (C) | 172.1 |
| 2b (CH2) | 35.6 |
| 2c (CH2) | 17.7 |
| 2d (CH3) | 13.5 |
| 9a (C) | 170.6 |
| 9b (CH3) | 21.4 |
| 14a (C) | 169.7 |
| 14b (CH3) | 21.2 |
