Common Name: Casearlucin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O8/c1-10-17(3)12-13-29(8)19(5)14-25(34-9)30-23(27(35-20(6)31)38-28(30)36-21(7)32)15-22(16-24(29)30)37-26(33)18(4)11-2/h10,15,18-19,22,24-25,27-28H,1,3,11-14,16H2,2,4-9H3/t18?,19-,22-,24+,25+,27+,28?,29-,30-/m0/s1
InChIKey: InChIKey=PRXYABXGJNKXKE-OUSNHKNLSA-N
Formula: C30H44O8
Molecular Weight: 532.66671
Exact Mass: 532.303618
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sai Prakash, C.V., Hoch, J.M., Kingston, D.G. J Nat Prod (2002) 65, 100-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 26.7 |
2 (CH) | 70.6 |
3 (CH) | 123.8 |
4 (C) | 145.2 |
5 (C) | 53.2 |
6 (CH) | 83.2 |
7 (CH2) | 31.4 |
8 (CH) | 37.1 |
9 (C) | 41.3 |
10 (CH) | 38.3 |
11 (CH2) | 27.6 |
12 (CH2) | 23.8 |
13 (C) | 145.3 |
14 (CH) | 140.4 |
15 (CH2) | 112.6 |
16 (CH2) | 115.5 |
17 (CH3) | 15.9 |
18 (CH) | 95.7 |
19 (CH) | 98 |
20 (CH3) | 25.7 |
2a (C) | 176.1 |
2b (CH) | 41.3 |
2c (CH2) | 27.2 |
2d (CH3) | 11.7 |
2ba (CH3) | 16.7 |
6a (CH3) | 57.6 |
18a (C) | 170.3 |
18b (CH3) | 21.7 |
19a (C) | 169.8 |
19b (CH3) | 21.5 |