Spektraris NMR
(1α,3β,9β)-1,3-Diacetoxy-24-methylene-9,19-cyclolanostan-28-oic acid
Common Name: (1α,3β,9β)-1,3-Diacetoxy-24-methylene-9,19-cyclolanostan-28-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H54O6/c1-20(2)21(3)10-11-22(4)25-14-15-32(8)26-12-13-27-33(9,30(38)39)28(40-23(5)36)18-29(41-24(6)37)35(27)19-34(26,35)17-16-31(25,32)7/h20,22,25-29H,3,10-19H2,1-2,4-9H3,(H,38,39)/t22-,25-,26+,27+,28+,29+,31-,32+,33+,34+,35-/m1/s1
InChIKey: InChIKey=XXQZXARMTRVCHW-VSMYQFNNSA-N
Formula: C35H54O6
Molecular Weight: 570.800987
Exact Mass: 570.392039
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Banskota, A.H., Tezuka, Y., Tran, K.Q., Tanaka, K., Saiki, I., Kadota, S. Chem Pharm Bull (2000) 48, 496-504
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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 (CH) | 75.6 |
| 2 (CH2) | 31 |
| 3 (CH) | 74.2 |
| 4 (C) | 52.8 |
| 5 (CH) | 39.1 |
| 6 (CH2) | 22.4 |
| 7 (CH2) | 28.2 |
| 8 (CH) | 46.2 |
| 9 (C) | 21.4 |
| 10 (C) | 30 |
| 11 (CH2) | 26.3 |
| 12 (CH2) | 33 |
| 13 (C) | 45.4 |
| 14 (C) | 49.1 |
| 15 (CH2) | 35.5 |
| 16 (CH2) | 24.9 |
| 17 (CH) | 52.5 |
| 18 (CH3) | 17.9 |
| 19 (CH2) | 28 |
| 20 (CH) | 36.4 |
| 21 (CH3) | 18.5 |
| 22 (CH2) | 35.3 |
| 23 (CH2) | 31.7 |
| 24 (C) | 156.7 |
| 25 (CH) | 34.1 |
| 26 (CH3) | 22.1 |
| 27 (CH3) | 22 |
| 28 (C) | 177.9 |
| 29 (CH3) | 10.5 |
| 30 (CH3) | 19.1 |
| 1a (C) | 170.4 |
| 1b (CH3) | 21 |
| 3a (C) | 170 |
| 3b (CH3) | 20 |
| 24a (CH2) | 106.7 |
