Spektraris NMR
Swertialactone-d
Common Name: Swertialactone-d
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O3/c1-17(2)18-11-14-27(5)19(18)12-15-28(6)21(27)9-10-22-29(28,7)16-13-20-26(3,4)25-32-23(24(31)33-25)30(20,22)8/h12,17-18,20-23,25H,9-11,13-16H2,1-8H3/t18-,20-,21+,22-,23+,25-,27-,28+,29+,30-/m0/s1
InChIKey: InChIKey=VORXDCSUUZISOZ-FPTKMKEXSA-N
Formula: C30H46O3
Molecular Weight: 454.685566
Exact Mass: 454.344695
NMR Solvent: T+B
MHz:
Calibration:
NMR references: 13C - Bhan S., Kumar R., Kalla A.K., Dhar K.L. Phytochemistry (1987) 26, 3363
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Hopanes; 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 (CH) | 79 |
| 2 (C) | 173.1 |
| 3 (CH) | 111 |
| 4 (C) | 40.1 |
| 5 (CH) | 49.8 |
| 6 (CH2) | 18 |
| 7 (CH2) | 34.2 |
| 8 (C) | 42.6 |
| 9 (CH) | 50.5 |
| 10 (C) | 37 |
| 11 (CH2) | 21 |
| 12 (CH2) | 24.1 |
| 13 (CH) | 39 |
| 14 (C) | 42.8 |
| 15 (CH2) | 34.6 |
| 16 (CH) | 121 |
| 17 (C) | 140 |
| 18 (C) | 47 |
| 19 (CH2) | 29.4 |
| 20 (CH2) | 30.1 |
| 21 (CH) | 48.2 |
| 22 (CH) | 31 |
| 23 (CH3) | 27.5 |
| 24 (CH3) | 19.3 |
| 25 (CH3) | 26 |
| 26 (CH3) | 16.9 |
| 27 (CH3) | 16.4 |
| 28 (CH3) | 19.1 |
| 29 (CH3) | 20 |
| 30 (CH3) | 21 |
