Spektraris NMR
4,4,6a,6b,11,11,14b-Heptamethyl-2,3,4,4a,5,6,6a,6b,7,8,9,10,11,12,12a,14,14a,14b-octadecahydro-3,8a(1H)-picenediol
Common Name: 4,4,6a,6b,11,11,14b-Heptamethyl-2,3,4,4a,5,6,6a,6b,7,8,9,10,11,12,12a,14,14a,14b-octadecahydro-3,8a(1H)-picenediol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H48O2/c1-24(2)14-16-29(31)17-15-27(6)19(20(29)18-24)8-9-22-26(5)12-11-23(30)25(3,4)21(26)10-13-28(22,27)7/h8,20-23,30-31H,9-18H2,1-7H3/t20-,21-,22+,23-,26-,27+,28+,29-/m0/s1
InChIKey: InChIKey=GYCWITAVSTXNTP-VSQYQUPVSA-N
Formula: C29H48O2
Molecular Weight: 428.691307
Exact Mass: 428.365431
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Ikuta A. , Morikawa A. J Nat Prod (1992) 55, 1230
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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 (CH2) | 39 |
| 2 (CH2) | 28.1 |
| 3 (CH) | 78.2 |
| 4 (C) | 39.4 |
| 5 (CH) | 55.9 |
| 6 (CH2) | 18.9 |
| 7 (CH2) | 33.5 |
| 8 (C) | 40 |
| 9 (CH) | 48.3 |
| 10 (C) | 37.5 |
| 11 (CH2) | 24 |
| 12 (CH) | 122.7 |
| 13 (C) | 145.7 |
| 14 (C) | 42.1 |
| 15 (CH2) | 28.1 |
| 16 (CH2) | 26.4 |
| 17 (C) | 71 |
| 18 (CH) | 48.8 |
| 19 (CH2) | 49 |
| 20 (C) | 31.2 |
| 21 (CH2) | 37.1 |
| 22 (CH2) | 38.8 |
| 23 (CH3) | 28.9 |
| 24 (CH3) | 16.6 |
| 25 (CH3) | 15.6 |
| 26 (CH3) | 17.9 |
| 27 (CH3) | 25.8 |
| 29 (CH3) | 33 |
| 30 (CH3) | 24 |
