Spektraris NMR
(3α,7α,13α,17α,20S,21R,23R,24S)-7,24-Dihydroxy-21-methoxy-21,23-epoxy-13,30-cyclodammar-25-en-3-yl 3-methylbutanoate
Common Name: (3α,7α,13α,17α,20S,21R,23R,24S)-7,24-Dihydroxy-21-methoxy-21,23-epoxy-13,30-cyclodammar-25-en-3-yl 3-methylbutanoate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H58O6/c1-20(2)16-29(38)42-28-12-13-33(7)25-11-14-35-19-36(35,34(25,8)27(37)18-26(33)32(28,5)6)15-10-23(35)22-17-24(30(39)21(3)4)41-31(22)40-9/h20,22-28,30-31,37,39H,3,10-19H2,1-2,4-9H3/t22-,23-,24+,25+,26-,27+,28+,30?,31+,33+,34-,35+,36+/m0/s1
InChIKey: InChIKey=QKYRXJPOAYLBSX-KYUMGRRTSA-N
Formula: C36H58O6
Molecular Weight: 586.843486
Exact Mass: 586.42334
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mitsui, K., Maejima, M., Saito, H., Fukaya, H., Hitotsuyanagi, Y., Takeya, K. Tetrahedron (2005) 61, 10569-82
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) | 33.8 |
| 2 (CH2) | 22.9 |
| 3 (CH) | 77.8 |
| 4 (C) | 36.2 |
| 5 (CH) | 41.3 |
| 6 (CH2) | 24.2 |
| 7 (CH) | 74.2 |
| 8 (C) | 39.1 |
| 9 (CH) | 43.9 |
| 10 (C) | 37.3 |
| 11 (CH2) | 16.1 |
| 12 (CH2) | 25.6 |
| 13 (C) | 28.6 |
| 14 (C) | 36.3 |
| 15 (CH2) | 25.9 |
| 16 (CH2) | 26.2 |
| 17 (CH) | 48.6 |
| 18 (CH2) | 13.6 |
| 19 (CH3) | 15.6 |
| 20 (CH) | 49.8 |
| 21 (CH) | 109 |
| 22 (CH2) | 32.6 |
| 23 (CH) | 79 |
| 24 (CH) | 78.3 |
| 25 (C) | 144.5 |
| 26 (CH2) | 113.3 |
| 27 (CH3) | 18.2 |
| 28 (CH3) | 27.8 |
| 29 (CH3) | 21.9 |
| 30 (CH3) | 19.4 |
| 3a (C) | 172.9 |
| 3b (CH2) | 43.9 |
| 3c (CH) | 25.8 |
| 3d (CH3) | 22.5 |
| 3ca (CH3) | 22.5 |
| 21a (CH3) | 55.5 |
