Spektraris NMR
(21R,23S)-Epoxy-21a-methoxy-7a,24S,25-trihydroxy-4a,4b,8b,10b-tetramethyl-25-dimethyl-14,18-cyclo-5a13a,-14a,17a-cholestan-3b-N-methylanthranilic acid ester
Common Name: (21R,23S)-Epoxy-21a-methoxy-7a,24S,25-trihydroxy-4a,4b,8b,10b-tetramethyl-25-dimethyl-14,18-cyclo-5a13a,-14a,17a-cholestan-3b-N-methylanthranilic acid ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C39H59NO7/c1-34(2)28-20-29(41)37(6)27(36(28,5)16-15-30(34)47-32(43)22-11-9-10-12-25(22)40-7)14-17-38-21-39(37,38)18-13-24(38)23-19-26(46-33(23)45-8)31(42)35(3,4)44/h9-12,23-24,26-31,33,40-42,44H,13-21H2,1-8H3/t23?,24-,26+,27+,28-,29+,30-,31?,33+,36+,37-,38+,39+/m0/s1
InChIKey: InChIKey=YERUMUXLLQMXCB-ODJFTWJGSA-N
Formula: C39H59N1O7
Molecular Weight: 653.889782
Exact Mass: 653.429153
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Biavatti, M.W., Vieira, P.C., Da Silva, M.F., Fernandes, J.B., Albuquerque, S. J Nat Prod (2002) 65, 562-5
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloapotirucallanes; 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) | 38.1 |
| 2 (CH2) | 25.4 |
| 3 (CH) | 80.4 |
| 4 (C) | 36.1 |
| 5 (CH) | 46.1 |
| 6 (CH2) | 23.6 |
| 7 (CH) | 74.1 |
| 8 (C) | 37.6 |
| 9 (CH) | 43.8 |
| 10 (C) | 37.1 |
| 11 (CH2) | 16.2 |
| 12 (CH2) | 24 |
| 13 (C) | 28.4 |
| 14 (C) | 38.8 |
| 15 (CH2) | 25.7 |
| 16 (CH2) | 32.5 |
| 17 (CH) | 48.5 |
| 18 (CH2) | 13.5 |
| 19 (CH3) | 15.7 |
| 20 (CH) | 49.5 |
| 21 (CH) | 108.5 |
| 22 (CH2) | 26.3 |
| 23 (CH) | 77.6 |
| 24 (CH) | 77.9 |
| 25 (C) | 72 |
| 26 (CH3) | 26.5 |
| 27 (CH3) | 25 |
| 28 (CH3) | 27.8 |
| 29 (CH3) | 15.8 |
| 30 (CH3) | 19.3 |
| 3a (C) | 168.2 |
| 3b (C) | 110.4 |
| 3c (C) | 152 |
| 3d (CH) | 110.6 |
| 3e (CH) | 134.3 |
| 3f (CH) | 114.1 |
| 3g (CH) | 131.3 |
| 3h (CH3) | 29.5 |
| 21a (CH3) | 55.5 |
