Spektraris NMR
29-Nor-3,4-secofriedelane-4(23),20(30)-diene-3-oic acid
Common Name: 29-Nor-3,4-secofriedelane-4(23),20(30)-diene-3-oic acid
Synonyms: 29-Nor-3,4-secofriedelane-4(23),20(30)-diene-3-oic acid
CAS Registry Number:
InChI: InChI=1S/C29H46O2/c1-8-25(3)14-12-22-27(5,21(25)9-10-24(30)31)16-18-29(7)23-19-20(2)11-13-26(23,4)15-17-28(22,29)6/h8,21-23H,1-2,9-19H2,3-7H3,(H,30,31)/t21-,22+,23-,25+,26-,27+,28-,29+/m1/s1
InChIKey: InChIKey=WHILTTGBYLMIFN-XUFZOROLSA-N
Formula: C29H46O2
Molecular Weight: 426.675426
Exact Mass: 426.349781
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sutthivaiyakit, S., Nakorn, N.N., Kraus, W., Sutthivaiyakit, P. Tetrahedron (2003) 59, 9991-5
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Friedelanes; 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) | 21.2 |
| 2 (CH2) | 37.1 |
| 3 (C) | 179.2 |
| 4 (CH) | 150.9 |
| 5 (C) | 42 |
| 6 (CH2) | 41.4 |
| 7 (CH2) | 17.7 |
| 8 (CH) | 49.5 |
| 9 (C) | 38.7 |
| 10 (CH) | 58.4 |
| 11 (CH2) | 34.9 |
| 12 (CH2) | 28.8 |
| 13 (C) | 40.6 |
| 14 (C) | 39.5 |
| 15 (CH2) | 28.3 |
| 16 (CH2) | 36.1 |
| 17 (C) | 31.3 |
| 18 (CH) | 45.4 |
| 19 (CH2) | 29.8 |
| 20 (C) | 149.3 |
| 21 (CH2) | 30.8 |
| 22 (CH2) | 38.2 |
| 23 (CH2) | 111 |
| 24 (CH3) | 18.1 |
| 25 (CH3) | 19.3 |
| 26 (CH3) | 15.1 |
| 27 (CH3) | 18.1 |
| 28 (CH3) | 31.4 |
| 30 (CH2) | 107.3 |
