Common Name: Inorolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H40O6/c1-15(28)31-19-14-18-16(23(30)33-24-17(19)13-22(29)32-24)7-8-21-26(18,4)12-9-20-25(2,3)10-6-11-27(20,21)5/h13,16,18-21,23-24,30H,6-12,14H2,1-5H3/t16-,18+,19+,20-,21-,23-,24+,26-,27-/m0/s1
InChIKey: InChIKey=ITHPNIGJSXXGLS-HEJOWBLBSA-N
Formula: C27H40O6
Molecular Weight: 460.603929
Exact Mass: 460.282489
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Miyamoto, T., Sakamoto, K., Amano, H., Arakawa, Y., Nagarekawa, Y., Komori, T., Higuchi, R., Sasaki, T. Tetrahedron (1999) 55, 9133-42
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Cheilanthanes; 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) | 39.78 |
2 (CH2) | 18.6 |
3 (CH2) | 39.9 |
4 (C) | 33.3 |
5 (CH) | 56.6 |
6 (CH2) | 18.6 |
7 (CH2) | 42 |
8 (C) | 37.9 |
9 (CH) | 59.4 |
10 (C) | 37.6 |
11 (CH2) | 20.8 |
12 (CH2) | 33.5 |
13 (CH) | 43.4 |
14 (CH) | 47.7 |
15 (CH2) | 27.6 |
16 (CH) | 67 |
17 (C) | 164 |
18 (CH) | 122.6 |
19 (C) | 172.5 |
20 (CH3) | 33.3 |
21 (CH3) | 21.3 |
22 (CH3) | 16.1 |
23 (CH3) | 14.8 |
24 (CH) | 75.7 |
25 (CH) | 83.5 |
16a (C) | 169.5 |
16b (CH3) | 21.4 |