Spektraris NMR
(3α,7α,13α,17α,20S,23R,24R)-7,23,25-Trihydroxy-21,24-epoxy-13,30-cyclodammaran-3-yl 3-methyl-2-butenoate
Common Name: (3α,7α,13α,17α,20S,23R,24R)-7,23,25-Trihydroxy-21,24-epoxy-13,30-cyclodammaran-3-yl 3-methyl-2-butenoate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H56O6/c1-20(2)15-28(38)41-27-11-12-32(7)24-10-13-34-19-35(34,33(24,8)26(37)17-25(32)30(27,3)4)14-9-22(34)21-16-23(36)29(40-18-21)31(5,6)39/h15,21-27,29,36-37,39H,9-14,16-19H2,1-8H3/t21-,22+,23-,24-,25+,26-,27-,29-,32-,33+,34-,35-/m1/s1
InChIKey: InChIKey=YCCFXBWQIJILPG-XXPURIHBSA-N
Formula: C35H56O6
Molecular Weight: 572.816868
Exact Mass: 572.40769
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) | 34 |
| 2 (CH2) | 22.9 |
| 3 (CH) | 77 |
| 4 (C) | 36.3 |
| 5 (CH) | 41.2 |
| 6 (CH2) | 24.2 |
| 7 (CH) | 74.4 |
| 8 (C) | 39 |
| 9 (CH) | 44 |
| 10 (C) | 37.4 |
| 11 (CH2) | 16.6 |
| 12 (CH2) | 28.2 |
| 13 (C) | 28.8 |
| 14 (C) | 37.2 |
| 15 (CH2) | 28 |
| 16 (CH2) | 26.2 |
| 17 (CH) | 40.4 |
| 18 (CH2) | 14.2 |
| 19 (CH3) | 15.9 |
| 20 (CH) | 45.9 |
| 21 (CH2) | 70.7 |
| 22 (CH2) | 36.5 |
| 23 (CH) | 64.9 |
| 24 (CH) | 86.6 |
| 25 (C) | 74.2 |
| 26 (CH3) | 24.1 |
| 27 (CH3) | 28.6 |
| 28 (CH3) | 27.7 |
| 29 (CH3) | 21.9 |
| 30 (CH3) | 19.9 |
| 3a (C) | 166.5 |
| 3b (CH) | 117 |
| 3c (C) | 155.8 |
| 3d (CH3) | 27.4 |
| 3ca (CH3) | 20.3 |
