Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H52O4/c1-21(35-20-32)28(5)11-10-22-29(6,23(28)18-25(33)34-9)15-17-31(8)24-19-26(2,3)12-13-27(24,4)14-16-30(22,31)7/h20-24H,10-19H2,1-9H3/t21?,22-,23+,24+,27+,28+,29+,30+,31-/m0/s1
InChIKey: InChIKey=KOISQOLRZRPSHS-DMCVUXQISA-N
Formula: C31H52O4
Molecular Weight: 488.743352
Exact Mass: 488.38656
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Patra A., Chaudhuri S.K., Acharya A.K. Magn Reson Chem (1990) 28, 85
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Friedelanes; 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)
Position | PPM |
---|---|
1 (CH2) | 29.9 |
2 (C) | 174.7 |
4 (CH) | 77.8 |
5 (C) | 40.6 |
6 (CH2) | 33.8 |
7 (CH2) | 17.4 |
8 (CH) | 52.5 |
9 (C) | 38.6 |
10 (CH) | 51.2 |
11 (CH2) | 34.2 |
12 (CH2) | 30.3 |
13 (C) | 39.5 |
14 (C) | 38.2 |
15 (CH2) | 32.2 |
16 (CH2) | 36 |
17 (C) | 30 |
18 (CH) | 42.8 |
19 (CH2) | 35.2 |
20 (C) | 28 |
21 (CH2) | 32.7 |
22 (CH2) | 39.1 |
23 (CH3) | 14.5 |
24 (CH3) | 17.9 |
25 (CH3) | 17.8 |
26 (CH3) | 20 |
27 (CH3) | 18.5 |
28 (CH3) | 32 |
29 (CH3) | 31.8 |
30 (CH3) | 34.8 |
2a (CH3) | 51.6 |
4a (CH) | 160.8 |