Spektraris NMR
22e-Hydroxytirucalla-7,24-dien-3,23-dione
Common Name: 22e-Hydroxytirucalla-7,24-dien-3,23-dione
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O3/c1-18(2)17-23(31)26(33)19(3)20-11-15-30(8)22-9-10-24-27(4,5)25(32)13-14-28(24,6)21(22)12-16-29(20,30)7/h9,17,19-21,24,26,33H,10-16H2,1-8H3/t19-,20+,21+,24+,26?,28-,29+,30-/m1/s1
InChIKey: InChIKey=MCDMXWYRSDKLQF-SICRTNPMSA-N
Formula: C30H46O3
Molecular Weight: 454.685566
Exact Mass: 454.344695
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Guang Yi L., Gray A., Waterman P.G. Phytochemistry (1988) 27, 2283-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Tirucallanes; 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) | 38.4 |
| 2 (CH2) | 34.8 |
| 3 (C) | 216.8 |
| 4 (C) | 47.8 |
| 5 (CH) | 52.3 |
| 6 (CH2) | 24.3 |
| 7 (CH) | 117.8 |
| 8 (C) | 145.7 |
| 9 (CH) | 48.4 |
| 10 (C) | 34.9 |
| 11 (CH2) | 18.1 |
| 12 (CH2) | 33.4 |
| 13 (C) | 43.2 |
| 14 (C) | 51.3 |
| 15 (CH2) | 33.9 |
| 16 (CH2) | 27.9 |
| 17 (CH) | 49 |
| 18 (CH3) | 12.7 |
| 19 (CH3) | 21.5 |
| 20 (CH) | 39.4 |
| 21 (CH3) | 11.9 |
| 22 (CH) | 78.6 |
| 23 (C) | 201.2 |
| 24 (CH) | 119.1 |
| 25 (C) | 159.4 |
| 26 (CH3) | 24.4 |
| 27 (CH3) | 21.3 |
| 28 (CH3) | 28 |
| 29 (CH3) | 21.8 |
| 30 (CH3) | 27.5 |
