Spektraris NMR
Colossolactone VI
Common Name: Colossolactone VI
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H52O9/c1-21(31(39)40)10-12-28(44-24(4)37)22(2)25-14-17-34(8)26-11-13-29(32(5,6)41)35(20-43-23(3)36,19-16-30(38)42-9)27(26)15-18-33(25,34)7/h10-11,15,22,25,28-29,41H,12-14,16-20H2,1-9H3,(H,39,40)/b21-10-/t22-,25+,28+,29-,33+,34-,35-/m0/s1
InChIKey: InChIKey=IQKAWHUEZWYQHM-SGTCUYSDSA-N
Formula: C35H52O9
Molecular Weight: 616.78332
Exact Mass: 616.361133
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Dine, R.S.E., Halawany, A.M.E., Ma, C.M., Hattori, M. J Nat Prod (2008) 71, 1022-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 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) | 28.8 |
| 2 (CH2) | 25.5 |
| 3 (C) | 174.5 |
| 4 (C) | 75 |
| 5 (CH) | 48 |
| 6 (CH2) | 21.5 |
| 7 (CH) | 117.9 |
| 8 (C) | 134.1 |
| 9 (C) | 141.1 |
| 10 (C) | 42.2 |
| 11 (CH) | 120.4 |
| 12 (CH2) | 39.4 |
| 13 (C) | 43.7 |
| 14 (C) | 49.9 |
| 15 (CH2) | 31.5 |
| 16 (CH2) | 26 |
| 17 (CH) | 47.5 |
| 18 (CH3) | 16 |
| 19 (CH2) | 61.6 |
| 20 (CH) | 40 |
| 21 (CH3) | 12.6 |
| 22 (CH) | 75.5 |
| 23 (CH2) | 33.1 |
| 24 (CH) | 140.9 |
| 25 (C) | 128.1 |
| 26 (CH3) | 20.5 |
| 27 (C) | 171.7 |
| 28 (CH3) | 33.5 |
| 29 (CH3) | 25.8 |
| 30 (CH3) | 24.3 |
| 3a (CH3) | 51.8 |
| 19a (C) | 170.5 |
| 19b (CH3) | 21.1 |
| 22a (C) | 170.8 |
| 22b (CH3) | 21.2 |
