Common Name: Foliasalacin B1
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O2/c1-19(18-31)20-10-13-27(4)16-17-29(6)21(25(20)27)8-9-23-28(5)14-12-24(32)26(2,3)22(28)11-15-30(23,29)7/h19-23,25,31H,8-18H2,1-7H3/t19-,20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1
InChIKey: InChIKey=PQVVXMPNABAITP-WRGWHWBHSA-N
Formula: C30H50O2
Molecular Weight: 442.717924
Exact Mass: 442.381081
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yoshikawa, M., Zhang, Y., Wang, T., Nakamura, S., Matsuda, H. Chem Pharm Bull (2008) 56, 915-20
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) | 39.5 |
2 (CH2) | 34.2 |
3 (C) | 218.3 |
4 (C) | 47.3 |
5 (CH) | 54.8 |
6 (CH2) | 19.7 |
7 (CH2) | 33.6 |
8 (C) | 40.8 |
9 (CH) | 49.4 |
10 (C) | 36.8 |
11 (CH2) | 21.5 |
12 (CH2) | 27.2 |
13 (CH) | 38 |
14 (C) | 43.1 |
15 (CH2) | 27.3 |
16 (CH2) | 35.4 |
17 (C) | 43.1 |
18 (CH) | 47.4 |
19 (CH) | 43.6 |
20 (CH) | 38 |
21 (CH2) | 23.1 |
22 (CH2) | 40.1 |
23 (CH3) | 26.7 |
24 (CH3) | 21 |
25 (CH3) | 15.9 |
26 (CH3) | 15.8 |
27 (CH3) | 14.4 |
28 (CH3) | 17.6 |
29 (CH2) | 64.5 |
30 (CH3) | 18 |