Spektraris NMR
(23R,25R)-3,4-seco-17,14-friedo-9‚H-Lanosta-4(28),6,8-(14)-trien-26,23-olid-3-oic acid
Common Name: (23R,25R)-3,4-seco-17,14-friedo-9‚H-Lanosta-4(28),6,8-(14)-trien-26,23-olid-3-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O4/c1-18(2)23-9-8-22-24(28(23,5)13-12-26(31)32)10-15-30(7)25(22)11-14-29(30,6)20(4)17-21-16-19(3)27(33)34-21/h8-9,19-21,23-24H,1,10-17H2,2-7H3,(H,31,32)/t19-,20-,21+,23+,24-,28+,29+,30-/m1/s1
InChIKey: InChIKey=DETZLZBJHDSRCR-QXPHUOPYSA-N
Formula: C30H44O4
Molecular Weight: 468.66909
Exact Mass: 468.32396
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wada, S., Iida, A., Tanaka, R. J Nat Prod (2002) 65, 1657-9
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Friedolanostanes; 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) | 28.4 |
| 2 (CH2) | 29.6 |
| 3 (C) | 179.6 |
| 4 (C) | 145.8 |
| 5 (CH) | 50.5 |
| 6 (CH) | 126.6 |
| 7 (CH) | 125.2 |
| 8 (C) | 125 |
| 9 (CH) | 39.5 |
| 10 (C) | 37.1 |
| 11 (CH2) | 23.8 |
| 12 (CH2) | 32.4 |
| 13 (C) | 47.5 |
| 14 (C) | 146.7 |
| 15 (CH2) | 19.7 |
| 16 (CH2) | 36.2 |
| 17 (C) | 49 |
| 18 (CH3) | 15.6 |
| 19 (CH3) | 21.8 |
| 20 (CH) | 34.4 |
| 21 (CH3) | 15.2 |
| 22 (CH2) | 38.7 |
| 23 (CH) | 76.6 |
| 24 (CH2) | 36.5 |
| 25 (CH) | 34.1 |
| 26 (C) | 179.9 |
| 27 (CH3) | 15.8 |
| 28 (CH2) | 115.4 |
| 29 (CH3) | 24.8 |
| 30 (CH3) | 21.7 |
