Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H54O3/c1-21(32)28(5)13-12-23-29(6,22(28)10-11-25(33)34-9)17-19-31(8)24-20-26(2,3)14-15-27(24,4)16-18-30(23,31)7/h21-24,32H,10-20H2,1-9H3/t21?,22-,23+,24-,27-,28-,29+,30-,31+/m1/s1
InChIKey: InChIKey=GNDBHMVDODELBG-RGXYNTEFSA-N
Formula: C31H54O3
Molecular Weight: 474.759828
Exact Mass: 474.407296
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) | 21.2 |
2 (CH2) | 34.5 |
3 (C) | 174.2 |
4 (CH) | 75.2 |
5 (C) | 41.9 |
6 (CH2) | 36.8 |
7 (CH2) | 17.6 |
8 (CH) | 52.7 |
9 (C) | 39.3 |
10 (CH) | 57.1 |
11 (CH2) | 35 |
12 (CH2) | 30.1 |
13 (C) | 39.5 |
14 (C) | 38.2 |
15 (CH2) | 32.2 |
16 (CH2) | 36 |
17 (C) | 29.9 |
18 (CH) | 42.8 |
19 (CH2) | 35.2 |
20 (C) | 28 |
21 (CH2) | 32.7 |
22 (CH2) | 39.2 |
23 (CH3) | 16.8 |
24 (CH3) | 18.5 |
25 (CH3) | 17.8 |
26 (CH3) | 20 |
27 (CH3) | 18.6 |
28 (CH3) | 32 |
29 (CH3) | 31.7 |
30 (CH3) | 34.8 |
3a (CH3) | 51.3 |