Spektraris NMR
Intercedenol A
Common Name: Intercedenol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H46O5/c1-19(2)10-9-15-31(8)26-23(36-20(3)33)18-30(7)22-11-12-24-28(4,5)25(34)14-16-29(24,6)21(22)13-17-32(26,30)27(35)37-31/h9-10,13,15,22-26,34H,11-12,14,16-18H2,1-8H3/b15-9+/t22-,23+,24+,25+,26-,29-,30+,31+,32-/m1/s1
InChIKey: InChIKey=UAUALYYLXWNJRC-JJMXHKTGSA-N
Formula: C32H46O5
Molecular Weight: 510.705848
Exact Mass: 510.334525
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zou, Z.R., Yi, Y.H., Wu, H.M., Wu, J.H., Zhou, D.Z., Zhang, S.Y. Chin Chem Lett (2004) 15, 309-12
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Holostanes; 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) | 36.1 |
| 2 (CH2) | 27.8 |
| 3 (CH) | 78.9 |
| 4 (C) | 39.2 |
| 5 (CH) | 52.5 |
| 6 (CH2) | 21.1 |
| 7 (CH2) | 27.7 |
| 8 (CH) | 39.4 |
| 9 (C) | 151.1 |
| 10 (C) | 39.6 |
| 11 (CH) | 110.3 |
| 12 (CH2) | 33.7 |
| 13 (C) | 58.6 |
| 14 (C) | 43.1 |
| 15 (CH2) | 43.3 |
| 16 (CH) | 73.4 |
| 17 (CH) | 54.2 |
| 18 (C) | 176.6 |
| 19 (CH3) | 21.8 |
| 20 (C) | 83 |
| 21 (CH3) | 30.6 |
| 22 (CH) | 132.4 |
| 23 (CH) | 122.7 |
| 24 (CH) | 124.8 |
| 25 (C) | 135.4 |
| 26 (CH3) | 25.9 |
| 27 (CH3) | 18.3 |
| 28 (CH3) | 28.2 |
| 29 (CH3) | 15.6 |
| 30 (CH3) | 21.2 |
| 16a (C) | 171.1 |
| 16b (CH3) | 21.3 |
