Common Name: Echinocystic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O4/c1-25(2)14-15-30(24(33)34)19(16-25)18-8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,6)29(18,7)17-23(30)32/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21+,22-,23+,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=YKOPWPOFWMYZJZ-PRIAQAIDSA-N
Formula: C30H48O4
Molecular Weight: 472.700853
Exact Mass: 472.35526
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Sahu, N.P., Mahato, S.B. Phytochemistry (1994) 37, 1425-7
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)
Position | PPM |
---|---|
1 (CH2) | 39.2 |
2 (CH2) | 27.8 |
3 (CH) | 78 |
4 (C) | 39.2 |
5 (CH) | 56.1 |
6 (CH2) | 18 |
7 (CH2) | 33.3 |
8 (C) | 39.4 |
9 (CH) | 47 |
10 (C) | 31.5 |
11 (CH2) | 24 |
12 (CH) | 122.5 |
13 (C) | 144.6 |
14 (C) | 41.5 |
15 (CH2) | 36.1 |
16 (CH) | 74.2 |
17 (C) | 49.1 |
18 (CH) | 41.8 |
19 (CH2) | 47.3 |
20 (C) | 30.9 |
21 (CH2) | 36 |
22 (CH2) | 32.4 |
23 (CH3) | 28.6 |
24 (CH3) | 16.5 |
25 (CH3) | 15.8 |
26 (CH3) | 17.2 |
27 (CH3) | 28 |
28 (C) | 179.6 |
29 (CH3) | 33 |
30 (CH3) | 24.2 |