Common Name: Crassocolide C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O5/c1-14-8-6-9-15(2)12-19-18(16(3)21(24)27-19)13-20(26-17(4)23)22(5,25)11-7-10-14/h9-10,18-20,25H,3,6-8,11-13H2,1-2,4-5H3/b14-10+,15-9+/t18-,19+,20+,22-/m1/s1
InChIKey: InChIKey=MYSVBLKFHOXPIV-GFYKMQRRSA-N
Formula: C22H32O5
Molecular Weight: 376.487318
Exact Mass: 376.224974
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Huang, H.C., Ahmed, A.F., Su, J.H., Chao, C.H., Wu, Y.C., Chiang, M.Y., Sheu, J.H. J Nat Prod (2006) 69, 1554-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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 (CH) | 42 |
2 (CH2) | 35.6 |
3 (CH) | 74.9 |
4 (C) | 75.5 |
5 (CH2) | 38.1 |
6 (CH2) | 22.6 |
7 (CH) | 124.8 |
8 (C) | 137 |
9 (CH2) | 38.4 |
10 (CH2) | 25 |
11 (CH) | 128 |
12 (C) | 131 |
13 (CH2) | 45.3 |
14 (CH) | 81.7 |
15 (C) | 139.7 |
16 (C) | 170.1 |
17 (CH2) | 122.9 |
18 (CH3) | 24.8 |
19 (CH3) | 16.2 |
20 (CH3) | 17.3 |
3a (C) | 170.7 |
3b (CH3) | 21.3 |