Spektraris NMR
Acutangulic acid diacetate
Common Name: Acutangulic acid diacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O5/c1-24(2)12-14-29(23(33)34)15-13-28(7)21(30(29,35)17-24)9-8-20-26(5)16-18(31)22(32)25(3,4)19(26)10-11-27(20,28)6/h9,18-20,22,31-32,35H,8,10-17H2,1-7H3,(H,33,34)/t18-,19+,20-,22+,26+,27-,28-,29-,30-/m1/s1
InChIKey: InChIKey=XCALJCXXEUHHKS-LDXZOFFSSA-N
Formula: C30H48O5
Molecular Weight: 488.700258
Exact Mass: 488.350175
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Dhaveji K., S G.K.A., Narayan S., Rag D.S., Row L.R. Indian J Chem Soc (1984) 61, 1032
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 46.7 |
| 2 (CH) | 71.7 |
| 3 (CH) | 79.9 |
| 4 (C) | 38.7 |
| 5 (CH) | 54.1 |
| 6 (CH2) | 19.9 |
| 7 (CH2) | 32.4 |
| 8 (C) | 37.9 |
| 9 (CH) | 46.4 |
| 10 (C) | 38.9 |
| 11 (CH2) | 23.8 |
| 12 (CH) | 126.8 |
| 13 (C) | 138.7 |
| 14 (C) | 44.5 |
| 15 (CH2) | 27.5 |
| 16 (CH2) | 23.1 |
| 17 (C) | 54 |
| 18 (C) | 69.1 |
| 19 (CH2) | 53.1 |
| 20 (C) | 28.1 |
| 21 (CH2) | 32.4 |
| 22 (CH2) | 28 |
| 23 (CH3) | 27.9 |
| 24 (CH3) | 17.3 |
| 25 (CH3) | 16.5 |
| 26 (CH3) | 16.1 |
| 27 (CH3) | 26.2 |
| 28 (C) | 178.7 |
| 29 (CH3) | 37.1 |
| 30 (CH3) | 23.1 |
